SCHEMBL5470925

SCHEMBL5470925

Nc1nc2cc(CN3CCOCC3)ccc2n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 2/20 0.56
ALDH1A1 P00352 2/20 0.55
HTT P42858 2/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.54
SOS1 Q07889 2/20 0.49
TNF P01375 1/20 0.49
CXCL8 P10145 1/20 0.49
NOD2 Q9HC29 1/20 0.49
NOD1 Q9Y239 1/20 0.49
NCF1 P14598 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.46
CSF1R P07333 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
BRD4 O60885 1/20 0.44
NTRK1 P04629 1/20 0.44

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
SCHEMBL5471833 0.91 SOS1 (0.55) TRPC5ALDH1A1HTTPOLBKMT2A
SCHEMBL5471566 0.87 DRD4 (0.56) ALDH1A1HTTPOLBKMT2ASOS1
SCHEMBL3498573 0.79 BRD4 (0.47) TRPC5NCF1CSF1RBRD4NTRK1
SCHEMBL23295565 0.74 HTT (0.69) TRPC5ALDH1A1HTTPOLBKMT2A
SCHEMBL6200777 0.74 SIGMAR1 (0.71) ALDH1A1HTTPOLBKMT2ANCF1
SCHEMBL102338 0.74 SIGMAR1 (0.71) ALDH1A1HTTPOLBKMT2ANCF1
SCHEMBL5434228 0.73 ALDH1A1 (0.57) ALDH1A1HTTPOLBKMT2ASOS1
SCHEMBL939417 0.73 TNF (0.79) ALDH1A1HTTPOLBKMT2ASOS1
SCHEMBL948372 0.72 SIGMAR1 (0.68) ALDH1A1HTTPOLBKMT2ANCF1
SCHEMBL18065638 0.72 SIGMAR1 (0.68) ALDH1A1HTTPOLBKMT2ANCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663988-B1 BENZYL-BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GMBH (DE) 2014-04-16 EP claimed
US-20070066606-A1 Benzylbenzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US claimed
EP-1663988-B1 BENZYL-BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GMBH (DE) 2014-04-16 EP disclosed
EP-1663988-B1 BENZYL-BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GMBH (DE) 2014-04-16 EP disclosed
US-20070066606-A1 Benzylbenzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
US-20070066606-A1 Benzylbenzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
US-20070066606-A1 Benzylbenzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
EP-1663988-A1 BENZYL-BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GmbH (DE) 2006-06-07 EP disclosed
WO-2005028448-A1 BENZYL-BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GMBH (DE) 2005-03-31 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-20070066606-A1 Benzylbenzimidazolyl derivatives TIE1, KDR, FLT1 TRPC5 3283/4885ALDH1A1 745/4885HTT 3647/4885

“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.