SCHEMBL6125249

SCHEMBL6125249

CNC(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.69
UBA2 Q9UBT2 1/20 0.69
MAPT P10636 3/20 0.66
LMNA P02545 3/20 0.66
TSHR P16473 1/20 0.66
HTT P42858 1/20 0.66
NLRP3 Q96P20 1/20 0.66
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
KDM4E B2RXH2 1/20 0.64
POLB P06746 1/20 0.64
PKM P14618 1/20 0.64
MAPK1 P28482 1/20 0.64
RAB9A P51151 1/20 0.64
IL18 Q14116 1/20 0.64
ALDH1A1 P00352 3/20 0.60
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58

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
SCHEMBL11768213 0.90 SAE1 (0.58) SAE1UBA2MAPTLMNATSHR
SCHEMBL11054945 0.88 MAPT (0.81) SAE1UBA2MAPTLMNATSHR
SCHEMBL10155599 0.83 ALDH1A1 (0.78) SAE1UBA2MAPTTSHRKMT2A
SCHEMBL7344351 0.83 PLAU (0.61) SAE1UBA2MAPTLMNATSHR
SCHEMBL11054936 0.83 MAPT (0.69) SAE1UBA2MAPTLMNATSHR
SCHEMBL10586455 0.82 ALDH1A1 (0.60) SAE1UBA2MAPTLMNATSHR
SCHEMBL1542345 0.81 ALDH1A1 (0.58) SAE1UBA2MAPTLMNATSHR
SCHEMBL11056656 0.81 MAPT (0.75) SAE1UBA2MAPTLMNATSHR
SCHEMBL28454806 0.81 GPR35 (0.59) SAE1UBA2MAPTLMNATSHR
SCHEMBL9483831 0.81 CA12 (0.54) SAE1UBA2LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3974423-A1 INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-03-30 EP disclosed
US-10556889-B1 Salvinorin derivatives Blue Sky Pharmaceuticals, LLC (US) 2020-02-11 US disclosed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-5807875-A OBESITY THERAPY DR. KARL THOMAE GMBH (DE) 1998-09-15 US disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US 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 (2 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-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain HTR2C, HTR2A, HTR5A SAE1 2244/4885UBA2 993/4885MAPT 3030/4885
US-10556889-B1 Salvinorin derivatives OPRD1, OPRK1, OPRL1 SAE1 483/4885UBA2 1629/4885MAPT 4659/4885

“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.