SCHEMBL6325549

SCHEMBL6325549

Cc1cc2nc(-c3ccc(N)cc3)[nH]c2cc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
SMN1; SMN2 Q16637 7/20 0.68
MAPT P10636 7/20 0.68
NPC1 O15118 7/20 0.68
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
KDM4E B2RXH2 6/20 0.68
RAB9A P51151 6/20 0.68
GLA P06280 4/20 0.68
GFER P55789 4/20 0.68
GAA P10253 4/20 0.68
RXFP1 Q9HBX9 3/20 0.68
RECQL P46063 2/20 0.68
CACNA1B Q00975 1/20 0.65
APBA1 Q02410 1/20 0.65
HPGD P15428 5/20 0.64
POLB P06746 5/20 0.64
HSD17B10 Q99714 3/20 0.64
NFKB1 P19838 3/20 0.64
PKM P14618 2/20 0.64

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
SCHEMBL6482012 0.90 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTNPC1MEN1
SCHEMBL6482005 0.90 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTNPC1MEN1
SCHEMBL15443951 0.88 MEN1 (0.79) ALDH1A1SMN1; SMN2MAPTNPC1MEN1
SCHEMBL25722414 0.86 HPSE (0.64) ALDH1A1SMN1; SMN2MAPTNPC1MEN1
SCHEMBL15443910 0.86 MEN1 (0.77) ALDH1A1SMN1; SMN2MAPTNPC1MEN1
SCHEMBL15496393 0.85 NPC1 (0.66) ALDH1A1SMN1; SMN2MAPTNPC1MEN1
SCHEMBL6529217 0.84 HPSE (0.56) ALDH1A1SMN1; SMN2MAPTNPC1MEN1
SCHEMBL24075313 0.83 HPSE (0.61) ALDH1A1SMN1; SMN2MAPTNPC1KDM4E
SCHEMBL7393557 0.83 GUSB (0.79) GAAHPSEGUSBNPBWR1
SCHEMBL3333916 0.83 GUSB (0.79) ALDH1A1SMN1; SMN2MAPTNPC1MEN1

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 15 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
EP-1555020-A2 Benzimidazole derivatives as modulators IgE Avanir Pharmaceuticals (US) 2005-07-20 EP disclosed
US-6919366-B2 Benzimidazole derivatives as modulators of IgE AVANIR PHARMACEUTICALS (US) 2005-07-19 US disclosed
US-6911462-B2 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS (US) 2005-06-28 US disclosed
WO-2005042496-A1 (BENZIMIDAZOL-2-YL)-PHENYL-BENZYL-AMINE DERIVATIVES AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed
US-20050075343-A1 Benzimidazole derivatives as modulators of IgE SIRCAR JAGADISH C (US) 2005-04-07 US disclosed
EP-1077700-B1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF IgE AVANIR PHARMACEUTICALS (US) 2005-04-06 EP disclosed
US-20030100582-A1 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS 2003-05-29 US disclosed
US-20030004203-A1 Benzimidazole derivatives as modulators of IgE AVANIR PHARMACEUTICALS 2003-01-02 US disclosed
US-6369091-B1 ANTIALLERGENS AVANIR PHARMACEUTICALS 2002-04-09 US disclosed
US-6303645-B1 USEFUL IN THERAPY OF ALLERGY AND/OR ASTHMA OR ANY DISEASES WHERE IMMUNOGLOBULIN E (IGE) IS PATHOGENIC AVANIR PHARMACEUTICALS 2001-10-16 US disclosed
EP-1079830-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE Avanir Pharmaceuticals (US) 2001-03-07 EP disclosed
EP-1077700-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF IgE Avanir Pharmaceuticals (US) 2001-02-28 EP disclosed
WO-1999061019-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF IgE AVANIR PHARMACEUTICALS (US) 1999-12-02 WO 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 (4 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 ALDH1A1 1209/4885SMN1; SMN2 4848/4885MAPT 3023/4885
US-20050277686-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 ALDH1A1 1209/4885SMN1; SMN2 4848/4885MAPT 3023/4885
US-20030004203-A1 Benzimidazole derivatives as modulators of IgE IGF1R, IGFBP1, IGFBP4 ALDH1A1 925/4885SMN1; SMN2 4145/4885MAPT 4034/4885
US-20050075343-A1 Benzimidazole derivatives as modulators of IgE FCER2, HRH4, DBI ALDH1A1 771/4885SMN1; SMN2 4837/4885MAPT 3328/4885

“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.