SCHEMBL13133003

SCHEMBL13133003

COc1ccc(NC(=O)Nc2[nH]c(Cc3ccc(C(=O)O)cc3)nc2C(N)=O)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
GAA P10253 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
IGF1R P08069 1/20 0.43
MAPT P10636 8/20 0.42
MAOB P27338 1/20 0.42
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
STAT3 P40763 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 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
SCHEMBL3994106 0.93 MEN1 (0.54) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL2816533 0.91 SAE1 (0.48) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL13133008 0.89 NTRK1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL17957235 0.85 CA12 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL17957293 0.84 CA12 (0.44) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL17957271 0.83 RAB9A (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2816165 0.82 COPS5 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL13170180 0.81 CA12 (0.42) SMN1; SMN2ALDH1A1MAPT
SCHEMBL13133007 0.81 NR1H4 (0.56) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL13133015 0.80 CCNC (0.41) MEN1KMT2AGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 MEN1 171/4885KMT2A 1034/4885GAA 1382/4885

“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.