SCHEMBL4454661

SCHEMBL4454661

COc1ccc(-c2cccnc2)cc1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.66
CYP11B1 P15538 4/20 0.66
CYP19A1 P11511 3/20 0.66
NPC1 O15118 4/20 0.57
RAB9A P51151 2/20 0.57
MAPT P10636 2/20 0.57
CYP17A1 P05093 2/20 0.56
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
S1PR1 P21453 2/20 0.51
NPY5R Q15761 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 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
SCHEMBL11342031 0.85 KDM4E (0.70) CYP11B2CYP11B1CYP19A1NPC1RAB9A
SCHEMBL30196133 0.85 KDM4E (0.70) CYP11B2CYP11B1CYP19A1NPC1RAB9A
Hydrochloric Acid SCHEMBL11336399 0.83 KDM4E (0.68) CYP11B2CYP11B1CYP19A1NPC1RAB9A
SCHEMBL1911847 0.82 NPC1 (0.65) CYP11B2CYP11B1CYP19A1NPC1RAB9A
SCHEMBL10208603 0.81 MKNK1 (0.59) CYP11B2CYP11B1CYP19A1NPC1RAB9A
SCHEMBL29697785 0.80 MAPT (0.56) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL12326165 0.80 MAPT (0.56) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8103884 0.80 KDR (0.54) CYP11B2CYP11B1CYP19A1NPC1RAB9A
SCHEMBL4508450 0.80 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1NPC1RAB9A
SCHEMBL31060852 0.80 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 US disclosed
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO 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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A CYP11B2 72/4885CYP11B1 73/4885CYP19A1 51/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A CYP11B2 72/4885CYP11B1 73/4885CYP19A1 51/4885

“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.