SCHEMBL893141

SCHEMBL893141

CCOC(=O)c1cn(Cc2ccccc2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
LMNA P02545 2/20 1.00
SMN1; SMN2 Q16637 3/20 0.77
HPGD P15428 1/20 0.77
MAPK1 P28482 4/20 0.56
GLA P06280 1/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
CYP19A1 P11511 5/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.49
KLKB1 P03952 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL553562 0.88 ALDH1A1 (0.78) ALDH1A1LMNASMN1; SMN2HPGDMAPK1
SCHEMBL18815387 0.87 SMN1; SMN2 (1.00) ALDH1A1LMNASMN1; SMN2HPGDMAPK1
SCHEMBL18794993 0.86 ALDH1A1 (0.76) ALDH1A1LMNASMN1; SMN2HPGDMAPK1
SCHEMBL1257597 0.86 ALDH1A1 (0.76) ALDH1A1LMNASMN1; SMN2HPGDMAPK1
SCHEMBL1719412 0.86 ALDH1A1 (0.75) ALDH1A1LMNASMN1; SMN2HPGDCYP19A1
SCHEMBL18795075 0.85 SMN1; SMN2 (0.78) ALDH1A1LMNASMN1; SMN2HPGDMAPK1
SCHEMBL15874039 0.84 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2HPGDMAPK1
SCHEMBL6072158 0.84 ALDH1A1 (0.73) ALDH1A1LMNASMN1; SMN2HPGDMAPK1
SCHEMBL25332941 0.84 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2HPGDMAPK1
SCHEMBL3648310 0.83 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2HPGDMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250563-B1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2022-01-12 EP disclosed
US-11021449-B2 Substituted triazoles and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-01 US disclosed
US-20200399229-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2020-12-24 US disclosed
US-10738017-B2 Substituted triazoles and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2020-08-11 US disclosed
EP-3190109-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2020-02-19 EP disclosed
US-20190169137-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2019-06-06 US disclosed
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases REMYND (BE) 2019-02-21 US disclosed
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2018-11-06 US disclosed
US-20170349558-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2017-12-07 US disclosed
US-20170349558-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2017-12-07 US disclosed
US-20140066457-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2014-03-06 US disclosed
US-8618138-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2013-12-31 US disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20130045998-A1 PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE LABORATORIOS LESVI, S.L. (ES) 2013-02-21 US disclosed
EP-2440550-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-04-18 EP disclosed
US-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-04-05 US disclosed
WO-2010142801-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-12-16 WO disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130045998-A1 PROCESS FOR PREPARING RUFINAMIDE INTERMEDIATE CYP3A5, CYP3A4, CYP4B1 ALDH1A1 392/4885LMNA 3096/4885SMN1; SMN2 3494/4885
US-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN ALDH1A1 2395/4885LMNA 1958/4885SMN1; SMN2 80/4885
US-20140066457-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN ALDH1A1 2404/4885LMNA 1956/4885SMN1; SMN2 81/4885
US-11021449-B2 Substituted triazoles and methods relating thereto CYP3A43, OTC, GRIN3A ALDH1A1 259/4885LMNA 2322/4885SMN1; SMN2 20/4885
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN ALDH1A1 2395/4885LMNA 1958/4885SMN1; SMN2 80/4885
US-20170349558-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO CYP3A43, OTC, GRIN3A ALDH1A1 259/4885LMNA 2322/4885SMN1; SMN2 20/4885
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases SNCA, MAPT, NLN ALDH1A1 2404/4885LMNA 1956/4885SMN1; SMN2 81/4885
US-20200399229-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO CYP3A43, OTC, GRIN3A ALDH1A1 259/4885LMNA 2322/4885SMN1; SMN2 20/4885
US-10738017-B2 Substituted triazoles and methods relating thereto CYP3A43, OTC, GRIN3A ALDH1A1 259/4885LMNA 2322/4885SMN1; SMN2 20/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 ALDH1A1 617/4885LMNA 3803/4885SMN1; SMN2 2844/4885
US-20190169137-A1 SUBSTITUTED TRIAZOLES AND METHODS RELATING THERETO CYP3A43, OTC, GRIN3A ALDH1A1 259/4885LMNA 2322/4885SMN1; SMN2 20/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.