SCHEMBL2815670

SCHEMBL2815670

O=C(CCCc1nc(C(=O)O)c(NC(=O)Nc2ccc(Cl)cc2)[nH]1)Nc1ccc2[nH]nnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.40
NTRK2 Q16620 3/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PARP1 P09874 1/20 0.38
NPY5R Q15761 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
EPHX1 P07099 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
PDE4A P27815 1/20 0.35
EPHX2 P34913 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
SCHEMBL13133022 0.92 PARP1 (0.41) NTRK1NTRK2ALDH1A1POLBMAPT
SCHEMBL2815410 0.89 MCHR1 (0.42) NTRK1NTRK2ALDH1A1PARP1EPHX2
SCHEMBL17957258 0.88 NTRK1 (0.38) NTRK1NTRK2ALDH1A1POLBMAPT
SCHEMBL2814887 0.87 MAPT (0.41) NTRK1NTRK2ALDH1A1MAPTPARP1
SCHEMBL2814556 0.85 ROCK2 (0.53) ROCK2ROCK1MEN1NPC1KMT2A
SCHEMBL2813215 0.84 NTRK1 (0.41) NTRK1NTRK2ALDH1A1POLBMAPT
SCHEMBL17957279 0.84 MCHR1 (0.45) NTRK1NTRK2ALDH1A1MAPT
SCHEMBL2814846 0.82 PARP1 (0.46) ALDH1A1MAPTPARP1MMP2MMP13
SCHEMBL2814331 0.82 MAPKAPK2 (0.44) MAPT
SCHEMBL13133028 0.82 MCHR1 (0.42) NTRK1NTRK2ALDH1A1PARP1EPHX2

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 NTRK1 3535/4885NTRK2 4562/4885ALDH1A1 198/4885

“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.