SCHEMBL2819331

SCHEMBL2819331

O=C(CCCc1nc(C(=O)O)c(NC(=O)Nc2ccc(C(F)(F)F)cc2)[nH]1)Nc1ccc2[nH]ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.49
ROCK2 O75116 6/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
RPS6KA1 Q15418 1/20 0.43
HDAC1 Q13547 1/20 0.43
RPS6KB1 P23443 1/20 0.43
P2RX7 Q99572 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
JAK2 O60674 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL13133030 0.93 MEN1 (0.47) ROCK1ROCK2MEN1KMT2APOLB
SCHEMBL2814556 0.89 ROCK2 (0.53) ROCK1ROCK2MEN1KMT2ACNR1
SCHEMBL17957272 0.89 MEN1 (0.47) ROCK1ROCK2MEN1KMT2APOLB
SCHEMBL2815410 0.86 MCHR1 (0.42) TRPV1NTRK1NTRK2MCHR1
SCHEMBL2814671 0.85 NTRK1 (0.45) TRPV1NTRK1NTRK2MCHR1
SCHEMBL2818198 0.84 MCHR1 (0.40) NTRK1NTRK2MCHR1
SCHEMBL13133025 0.81 ROCK2 (0.52) ROCK1ROCK2MEN1KMT2ACNR1
SCHEMBL17957279 0.81 MCHR1 (0.45) NTRK1NTRK2MCHR1
SCHEMBL13133028 0.79 MCHR1 (0.42) NTRK1NTRK2MCHR1
SCHEMBL2814063 0.78 MCHR1 (0.43) CNR2NTRK1NTRK2MCHR1

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 4 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
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 ROCK1 1080/4885ROCK2 2036/4885MEN1 171/4885

“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.