SCHEMBL6247115

SCHEMBL6247115

Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.61
ALDH1A1 P00352 9/20 0.61
KDM4E B2RXH2 8/20 0.61
NPC1 O15118 8/20 0.61
MAPT P10636 8/20 0.61
RAB9A P51151 7/20 0.61
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
HPGD P15428 7/20 0.61
HSD17B10 Q99714 5/20 0.61
GAA P10253 5/20 0.61
GFER P55789 4/20 0.61
POLB P06746 4/20 0.61
GLA P06280 4/20 0.61
TP53 P04637 4/20 0.61
RXFP1 Q9HBX9 2/20 0.61
RECQL P46063 2/20 0.61
CACNA1B Q00975 2/20 0.58
APBA1 Q02410 2/20 0.58
NFKB1 P19838 3/20 0.58

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
SCHEMBL8472844 0.90 MEN1 (0.63) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL4373640 0.90 KDM4E (0.69) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL3201968 0.89 MEN1 (0.61) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL6259639 0.87 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL28312335 0.86 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL159873 0.86 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL9862039 0.86 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL30307784 0.86 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL30533210 0.84 MEN1 (0.73) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL1655753 0.84 MEN1 (0.73) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT

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 7 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
WO-2005030206-A1 ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-04-07 WO 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 SMN1; SMN2 4848/4885ALDH1A1 1209/4885KDM4E 113/4885
US-20050277686-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 SMN1; SMN2 4848/4885ALDH1A1 1209/4885KDM4E 113/4885

“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.