SCHEMBL6016970

SCHEMBL6016970

O=C(Nc1ccc(Oc2cccnc2)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HTT P42858 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRB3 P13945 1/20 0.55
FAAH O00519 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.51
RECQL P46063 1/20 0.51
PDE10A Q9Y233 2/20 0.51
ROCK2 O75116 1/20 0.51
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL2181161 0.89 GRM5 (0.52) HTTADRB2ADRB1ADRB3FAAH
SCHEMBL13408241 0.89 FAAH (0.55) ALDH1A1NPC1RAB9AHTTTDP1
SCHEMBL3593695 0.86 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AHTTTDP1
SCHEMBL3588092 0.84 NPC1 (0.51) ALDH1A1NPC1RAB9AHTTTDP1
SCHEMBL9670339 0.83 IDO1 (0.61) ALDH1A1NPC1RAB9AHTTGAA
SCHEMBL17538645 0.80 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHTTTDP1
SCHEMBL6017011 0.80 FAAH (0.51) ALDH1A1NPC1RAB9AFAAHSMN1; SMN2
SCHEMBL3589610 0.80 RAF1 (0.53) ALDH1A1NPC1RAB9AHTTTDP1
SCHEMBL9670630 0.79 ROCK2 (0.55) NPC1RAB9AHTTTDP1ADRB2
Lycetamine SCHEMBL3643844 0.79 ADRB2 (0.44) ALDH1A1NPC1RAB9AHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691870-B2 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US 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
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 1318/4885NPC1 2767/4885RAB9A 1701/4885

“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.