SCHEMBL5359428

SCHEMBL5359428

COc1ccc(-c2ccc(-c3ccncc3)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.59
TSHR P16473 3/20 0.55
HSD17B10 Q99714 3/20 0.55
ALDH1A1 P00352 5/20 0.50
TGFBR1 P36897 1/20 0.48
KMT2A Q03164 2/20 0.48
MAPK14 Q16539 3/20 0.47
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
RAF1 P04049 1/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL10976797 0.86 KDM4E (0.58) NPC1HSD17B10ALDH1A1KMT2ARAB9A
SCHEMBL10991494 0.86 KDM4E (0.58) NPC1HSD17B10ALDH1A1KMT2ARAB9A
SCHEMBL8675465 0.86 MAPT (0.59) NPC1TSHRALDH1A1KMT2ARAB9A
SCHEMBL10992874 0.84 ACHE (0.49) NPC1TSHRHSD17B10ALDH1A1KMT2A
SCHEMBL10988231 0.84 KMT2A (0.48) NPC1TSHRHSD17B10ALDH1A1KMT2A
SCHEMBL10993183 0.84 SQOR (0.53) NPC1TSHRHSD17B10ALDH1A1KMT2A
SCHEMBL10988161 0.84 PIK3CA (0.50) NPC1ALDH1A1KMT2ARAB9AMAPT
SCHEMBL10992758 0.84 ACP1 (0.46) NPC1ALDH1A1KMT2ARAB9AKDM4E
SCHEMBL8680387 0.81 MAPT (0.56) NPC1HSD17B10ALDH1A1KMT2ARAB9A
SCHEMBL8677193 0.80 MAPT (0.52) NPC1KMT2ARAB9AMAPTMEN1

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-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US disclosed
US-20050182103-A1 Substituted 2,3-diphenyl pyridines MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
EP-1492784-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES Merck & Co., Inc. (US) 2005-01-05 EP disclosed
WO-2003082191-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES MERCK & CO., INC. (US) 2003-10-09 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 (1 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-20050182103-A1 Substituted 2,3-diphenyl pyridines CNR1, CNR2, MAG NPC1 424/4885TSHR 934/4885HSD17B10 4628/4885

“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.