SCHEMBL1777791

SCHEMBL1777791

Cc1c(Cl)c(O)c(C(=O)Nc2ncc(Cl)cn2)c(=O)n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NLRP3 Q96P20 1/20 0.47
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 3/20 0.38
HTT P42858 1/20 0.38
XBP1 P17861 1/20 0.37
F10 P00742 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP2C9 P11712 1/20 0.34

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
SCHEMBL1885161 0.81 NPC1 (0.42) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL1777253 0.80 RAB9A (0.61) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL1895519 0.77 LMNA (0.51) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL12417654 0.76 TSHR (0.39) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL1779249 0.75 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL1780290 0.75 NPC1 (0.44) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL26089232 0.75 ALDH1A1 (0.41) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL26419442 0.75 ALDH1A1 (0.41) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL26419438 0.75 ALDH1A1 (0.41) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL1883150 0.74 ALDH1A1 (0.48) RAB9AALDH1A1KDM4ELMNATP53

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
US-7943614-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7943614-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7943614-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
EP-1902047-B1 CARBOXAMIDE COMPOUND AND USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2010-04-28 EP disclosed
US-20090111815-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090111815-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090111815-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 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 (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-20090111815-A1 Carboxamide Compound and Use of the Same NAA50, SIRT1, NQO2 NPC1 1353/4885RAB9A 1423/4885ALDH1A1 2362/4885

“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.