SCHEMBL6325971

SCHEMBL6325971

Nc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.74
DGAT1 O75907 5/20 0.74
KCNH2 Q12809 5/20 0.74
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
RXFP1 Q9HBX9 2/20 0.69
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 2/20 0.69
GLA P06280 2/20 0.69
MAPT P10636 2/20 0.69
RECQL P46063 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
NPC1 O15118 1/20 0.69
GAA P10253 1/20 0.69
RAB9A P51151 1/20 0.69
GFER P55789 1/20 0.69
SOAT1 P35610 2/20 0.67
CACNA1B Q00975 1/20 0.67
APBA1 Q02410 1/20 0.67
GMNN O75496 1/20 0.66

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
SCHEMBL30343717 0.88 NPBWR1 (0.59) NPBWR1DGAT1KCNH2MEN1KMT2A
SCHEMBL6325961 0.88 NPBWR1 (0.59) NPBWR1DGAT1KCNH2MEN1KMT2A
SCHEMBL529750 0.85 NPBWR1 (0.74) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL10381149 0.85 NPBWR1 (1.00) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL4184260 0.85 DGAT1 (1.00) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL900794 0.85 NPBWR1 (0.74) NPBWR1DGAT1KCNH2SOAT1MMP2
SCHEMBL20445295 0.85 NPBWR1 (1.00) NPBWR1DGAT1KCNH2MEN1KMT2A
SCHEMBL30726446 0.85 NPBWR1 (0.72) NPBWR1DGAT1KCNH2MEN1KMT2A
SCHEMBL27040128 0.85 NPBWR1 (0.72) NPBWR1DGAT1KCNH2MEN1KMT2A
SCHEMBL363703 0.82 MEN1 (1.00) NPBWR1MEN1KMT2ARXFP1KDM4E

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-20050277686-A1 Benzimidazole compounds for regulating IgE SIRCAR JAGADISH C 2005-12-15 US disclosed
US-6911462-B2 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS (US) 2005-06-28 US disclosed
US-20030100582-A1 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS 2003-05-29 US disclosed
US-6369091-B1 ANTIALLERGENS AVANIR PHARMACEUTICALS 2002-04-09 US disclosed
EP-1079830-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE Avanir Pharmaceuticals (US) 2001-03-07 EP disclosed
WO-1999061020-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE AVANIR PHARMACEUTICALS (US) 1999-12-02 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 (2 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-20030100582-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 NPBWR1 1002/4885DGAT1 1527/4885KCNH2 3242/4885
US-20050277686-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 NPBWR1 1002/4885DGAT1 1527/4885KCNH2 3242/4885

“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.