SCHEMBL5223794

SCHEMBL5223794

COC(=O)Nc1ccc(C=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
MAPT P10636 2/20 0.58
ALDH1A1 P00352 5/20 0.55
HPGD P15428 2/20 0.53
KDM4E B2RXH2 2/20 0.49
CYP2A6 P11509 1/20 0.47
LMNA P02545 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
RAD51 Q06609 1/20 0.46
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL9609808 0.85 SMN1; SMN2 (0.82) SMN1; SMN2MAPTALDH1A1HPGDKDM4E
SCHEMBL418939 0.82 CYP17A1 (0.54) SMN1; SMN2MAPTALDH1A1KDM4ERAB9A
SCHEMBL6004359 0.82 RAB9A (0.58) SMN1; SMN2MAPTALDH1A1HPGDKDM4E
SCHEMBL23751560 0.82 SMN1; SMN2 (0.55) SMN1; SMN2MAPTALDH1A1HPGDKDM4E
SCHEMBL7998395 0.81 SMN1; SMN2 (0.52) SMN1; SMN2MAPTALDH1A1HPGDLMNA
SCHEMBL14861049 0.80 SMN1; SMN2 (0.62) SMN1; SMN2MAPTALDH1A1HPGDKDM4E
SCHEMBL14509718 0.79 SMN1; SMN2 (0.56) SMN1; SMN2MAPTALDH1A1HPGDLMNA
SCHEMBL201938 0.79 ALDH1A1 (0.64) SMN1; SMN2MAPTALDH1A1HPGDKDM4E
SCHEMBL7251623 0.79 SMN1; SMN2 (0.72) SMN1; SMN2MAPTALDH1A1HPGDLMNA
SCHEMBL2282492 0.78 HPGD (0.65) SMN1; SMN2MAPTALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20170217984-A1 Ligands for Alpha-7 Nicotinic Acetylcholine Receptors and Methods of Treating Neurological and Inflammatory Conditions NORTHEASTERN UNIVERSITY 2017-08-03 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-1417173-B1 SUBSTITUTED 2-THIO-3, 5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS BAYER HEALTHCARE AG (DE) 2007-09-26 EP disclosed
EP-1417173-B1 SUBSTITUTED 2-THIO-3, 5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS BAYER HEALTHCARE AG (DE) 2007-09-26 EP disclosed
US-7045631-B2 Substituted 2-thio-3, 5-dicyano-4-phenyl-6-aminopyridines and their use as adenosine receptor-selective ligands BAYER AKTIENGESELLSCHAFT (DE) 2006-05-16 US disclosed
US-20040176417-A1 Substituted 2-thio-3, 5-dicyano-4-phenyl-6-aminopyridines and their use as adenosine receptor-selective ligands BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-09 US disclosed
EP-1417173-A1 SUBSTITUTED 2-THIO-3, 5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS Bayer HealthCare AG (DE) 2004-05-12 EP disclosed
WO-2003008384-A1 SUBSTITUTED 2-THIO-3, 5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS BAYER HEALTHCARE AG (DE) 2003-01-30 WO disclosed
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 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 (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-20170217984-A1 Ligands for Alpha-7 Nicotinic Acetylcholine Receptors and Methods of Treating Neurological and Inflammatory Conditions CHRNA7, CHRNA10, CHRNA5 SMN1; SMN2 874/4885MAPT 435/4885ALDH1A1 2770/4885
US-20040176417-A1 Substituted 2-thio-3, 5-dicyano-4-phenyl-6-aminopyridines and their use as adenosine receptor-selective ligands ADORA1, ADORA3, ADORA2A SMN1; SMN2 4487/4885MAPT 3697/4885ALDH1A1 476/4885

“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.