SCHEMBL7415754

SCHEMBL7415754

CNC(=O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
POLB P06746 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
MAOB P27338 1/20 0.49
PIK3CA P42336 1/20 0.49
TRPV1 Q8NER1 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
SCHEMBL22219971 0.86 CA2 (0.69) CA1CA2SIGMAR1PIK3CA
SCHEMBL18475760 0.86 CA2 (0.53) CA1CA2POLBTRPV1
SCHEMBL26660399 0.84 PIK3CA (0.52) TSHRCA1CA2MAPTALDH1A1
SCHEMBL13485812 0.83 MEN1 (0.52) TSHRL3MBTL1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL26660393 0.83 PIK3CA (0.51) TSHRCA1CA2SMN1; SMN2MAPT
SCHEMBL28190396 0.82 PYGL (0.65) TSHRSMN1; SMN2ALDH1A1SIGMAR1TRPV1
SCHEMBL30791548 0.82 PYGL (0.65) TSHRSMN1; SMN2ALDH1A1SIGMAR1TRPV1
SCHEMBL8205134 0.82 L3MBTL1 (0.50) TSHRL3MBTL1CA1CA2SMN1; SMN2
SCHEMBL1203812 0.81 LOXL2 (0.54) TSHRL3MBTL1CA1CA2SMN1; SMN2
SCHEMBL13683247 0.80 TSHR (0.65) TSHRCA1CA2SMN1; SMN2MEN1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250537-A Treating psychoses SCIOS NOVA INC. (US) 1993-10-05 US claimed
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
EP-2623123-A1 Oligomer-opioid agonist conjugates Nektar Therapeutics (US) 2013-08-07 EP disclosed
US-7902330-B2 Protein kinase inhibitors and methods for identifying same ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-03-08 US disclosed
US-7902330-B2 Protein kinase inhibitors and methods for identifying same ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-03-08 US disclosed
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 US disclosed
US-20070254312-A1 Protein Kinase Inhibitors and Methods for Identiying Same NATIONAL INSTITUTES OF HEALTH 2007-11-01 US disclosed
US-20070254312-A1 Protein Kinase Inhibitors and Methods for Identiying Same NATIONAL INSTITUTES OF HEALTH 2007-11-01 US disclosed
WO-2005079300-A2 PROTEIN KINASE INHIBITORS AND METHODS FOR IDENTIFYING SAME ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2005-09-01 WO disclosed
US-5436244-A Antiarrhythmia agents ROUSSEL UCLAF (FR) 1995-07-25 US disclosed
US-5348971-A Indanes useful as analgesics ROUSSEL UCLAF (FR) 1994-09-20 US disclosed
US-5250537-A Treating psychoses SCIOS NOVA INC. (US) 1993-10-05 US disclosed
EP-0374054-A1 Indane derivatives, process for their preparation and intermediates obtained, their use as medicines, and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1990-06-20 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 (4 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-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF TSHR 3110/4885L3MBTL1 3651/4885CA1 2344/4885
US-20070254312-A1 Protein Kinase Inhibitors and Methods for Identiying Same PRKCA, PRKCE, PRKCB TSHR 3864/4885L3MBTL1 1537/4885CA1 3416/4885
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 TSHR 2274/4885L3MBTL1 4486/4885CA1 1648/4885
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF TSHR 3110/4885L3MBTL1 3651/4885CA1 2344/4885

“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.