SCHEMBL9805366

SCHEMBL9805366

O=Cc1ccc(-c2ccc(Br)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CYP11B1 P15538 1/20 0.48
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.40
METAP2 P50579 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
MITF O75030 1/20 0.38
KLF5 Q13887 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL9805410 0.89 CYP11B1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL9805625 0.89 CYP11B1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL397828 0.89 CYP11B1 (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL28682644 0.88 CYP11B1 (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1CYP11B1
SCHEMBL30747787 0.88 CYP11B1 (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1CYP11B1
SCHEMBL4417307 0.81 HSD17B10 (0.54) NPC1RAB9ASMN1; SMN2MAPK1CYP11B1
SCHEMBL4425760 0.81 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1CYP11B1
SCHEMBL13527931 0.81 CYP11B1 (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL13568531 0.81 ALDH5A1 (0.54) NPC1RAB9ASMN1; SMN2CYP11B1ALDH1A1
SCHEMBL30578701 0.81 KDM4E (0.54) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492266-B1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-8785462-B2 5-hydroxypyrimidine-4-carboxamide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-20120220609-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 US disclosed
EP-2492266-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-08-29 EP disclosed
EP-0242716-B1 LIQUID-CRYSTALLINE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-03-20 EP disclosed
US-4898455-A Pyridine liquid crystalline compounds HOFFMANN-LA ROCHE INC. (US) 1990-02-06 US disclosed
EP-0242716-A1 Liquid-crystalline pyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-10-28 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 (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-20120220609-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE EPOR, EGLN2, EGLN1 NPC1 4523/4885RAB9A 4002/4885SMN1; SMN2 3094/4885

“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.