SCHEMBL2814901

SCHEMBL2814901

CCc1ccc(NC(=O)Nc2[nH]c(Cc3ccc(C(=O)O)s3)nc2C(N)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.40
NPC1 O15118 5/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK14 Q16539 2/20 0.36
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL2814666 0.90 RAF1 (0.38) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL2816898 0.88 EPHX2 (0.38) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL2816391 0.88 COPS5 (0.39) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL17957286 0.87 RAB9A (0.39) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL2817152 0.86 EPHX2 (0.41) RAB9AKMT2AMEN1MAPTHTT
SCHEMBL17957294 0.85 HTT (0.41) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL2813846 0.84 BLM (0.39) NTRK1NTRK2
SCHEMBL17957271 0.83 RAB9A (0.44) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL2817159 0.82 FBP1 (0.48) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL2816880 0.82 CDK8 (0.41) HSD17B10NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193122-B1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-08-03 EP claimed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed
EP-2193122-B1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-08-03 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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 RAB9A 882/4885NPC1 1554/4885KMT2A 1034/4885

“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.