SCHEMBL12601082

SCHEMBL12601082

Cc1c(F)c(O)c(C(=O)Nc2ccc([N+](=O)[O-])cn2)c(=O)n1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.50
MAPT P10636 10/20 0.50
RAB9A P51151 8/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 4/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP1A2 P05177 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 2/20 0.45
KMT2A Q03164 4/20 0.44
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL1399907 0.85 NPC1 (0.65) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL12605339 0.77 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL12605345 0.75 NPC1 (0.43) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1777309 0.75 NPC1 (0.43) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL12605350 0.74 NPC1 (0.43) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1776499 0.74 NPC1 (0.42) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL12601083 0.72 MCHR1 (0.40) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1779249 0.72 NPC1 (0.46) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL29151308 0.71 GAA (0.56) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1890355 0.71 AHR (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943638-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7943638-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-20090111852-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090111852-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
WO-2007007903-A2 CARBOXAMIDE COMPOUND AND USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-18 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-20090111852-A1 Carboxamide Compound and Use of the Same CBR3, H1-3, H1-0 NPC1 1962/4885MAPT 3600/4885RAB9A 1566/4885

“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.