SCHEMBL1891987

SCHEMBL1891987

Cc1cc(O)c(C(=O)Nc2ccn(C)n2)c(=O)n1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
GRM5 P41594 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MAPK7 Q13164 1/20 0.43
MAPT P10636 2/20 0.41
RPS6KA3 P51812 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
HPGDS O60760 1/20 0.40
NOTUM Q6P988 1/20 0.39

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
SCHEMBL1884492 0.80 RAB9A (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1400157 0.79 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1400024 0.79 NPC1 (0.64) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL1399929 0.79 NPC1 (0.62) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1890216 0.78 TSHR (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1779089 0.78 RAB9A (0.59) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1779207 0.78 RAB9A (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1777034 0.76 RAB9A (0.58) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1399875 0.76 NPC1 (0.54) NPC1RAB9ASMN1; SMN2
SCHEMBL1779843 0.75 RAB9A (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1887002-B1 CARBOXAMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2015-08-26 EP disclosed
US-8304437-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-06 US disclosed
US-8304437-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-06 US disclosed
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME ARIMORI SADAYUKI 2011-07-14 US disclosed
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME ARIMORI SADAYUKI 2011-07-14 US disclosed
US-7935716-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-7935716-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090076063-A1 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 US disclosed
US-20090076063-A1 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 US disclosed
EP-1887002-A1 CARBOXAMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-02-13 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-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 NPC1 1710/4885RAB9A 1024/4885GRM5 915/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 NPC1 1710/4885RAB9A 1024/4885GRM5 915/4885

“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.