SCHEMBL3593695

SCHEMBL3593695

O=C(Nc1ccc(Oc2cccnc2)cc1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HTT P42858 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
GRM5 P41594 4/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
KDR P35968 2/20 0.44
TP53 P04637 1/20 0.44
RECQL P46063 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
SCHEMBL3596314 0.91 GRM5 (0.58) GRM5KMT2A
SCHEMBL3588802 0.89 KDR (0.53) ALDH1A1HTTTDP1RAB9AHPGD
SCHEMBL6016970 0.86 ALDH1A1 (0.57) ALDH1A1HTTTDP1RAB9AHPGD
SCHEMBL3588092 0.85 NPC1 (0.51) ALDH1A1HTTTDP1RAB9AHPGD
SCHEMBL16208369 0.84 KCNH2 (0.56) ALDH1A1LMNAMAPTKMT2ATP53
SCHEMBL3589610 0.83 RAF1 (0.53) ALDH1A1HTTTDP1RAB9AHPGD
SCHEMBL3603688 0.83 KDR (0.49) GRM5SMN1; SMN2KMT2AKDR
SCHEMBL16208426 0.82 ALDH1A1 (0.46) ALDH1A1HTTTDP1GRM5RAB9A
SCHEMBL16198105 0.82 ALDH1A1 (0.48) ALDH1A1HTTTDP1GRM5RAB9A
SCHEMBL4170478 0.80 PDE10A (0.52) ALDH1A1HTTTDP1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643991-B1 BENZIMIDAZOLE CARBOXAMIDES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
US-7691870-B2 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
EP-1643991-A1 BENZIMIDAZOLE CARBOXAMIDES AS RAF KINASE INHIBITORS MERCK PATENT GmbH (DE) 2006-04-12 EP disclosed
WO-2005004863-A1 BENZIMIDAZOLE CARBOXAMIDES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-01-20 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-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors BRAF, RAF1, ARAF ALDH1A1 1318/4885HTT 3742/4885TDP1 2653/4885

“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.