SCHEMBL3594514

SCHEMBL3594514

O=C(Nc1ccc(Oc2cccnc2)cc1)c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TLR8 Q9NR97 6/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
RAF1 P04049 3/20 0.47
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
TLR7 Q9NYK1 2/20 0.45
ABL1 P00519 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43

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
SCHEMBL3604416 0.92 GRM5 (0.48) NPC1RAB9ARAF1TNFNOD1
SCHEMBL3589893 0.90 KDR (0.49) TLR8KMT2AATMTLR7ABL1
SCHEMBL3593297 0.85 BRAF (0.48) TLR8RAF1TLR7KDR
SCHEMBL4172506 0.83 KDR (0.48) ALDH1A1HTTTDP1RAF1KDR
SCHEMBL3588092 0.83 NPC1 (0.51) ALDH1A1HTTTDP1TLR8NPC1
SCHEMBL3589610 0.82 RAF1 (0.53) ALDH1A1HTTTDP1TLR8NPC1
SCHEMBL3587532 0.79 HIF1A (0.46) ALDH1A1HTTNPC1RAB9AHPGD
SCHEMBL3593695 0.78 ALDH1A1 (0.55) ALDH1A1HTTTDP1NPC1RAB9A
SCHEMBL6016970 0.76 ALDH1A1 (0.57) ALDH1A1HTTTDP1NPC1RAB9A
SCHEMBL3596312 0.75 NPC1 (0.50) NPC1RAB9ARAF1TNFNOD1

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 3 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

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.