SCHEMBL4496832

SCHEMBL4496832

COc1ccc2[nH]c(-c3ccccc3-c3nc4cc(OC)ccc4[nH]3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.57
RAB9A P51151 8/20 0.57
SMN1; SMN2 Q16637 8/20 0.57
ALDH1A1 P00352 6/20 0.57
HPGD P15428 5/20 0.57
KDM4E B2RXH2 4/20 0.57
TP53 P04637 4/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PKM P14618 3/20 0.56
AMY1A P0DUB6 5/20 0.55
MAPT P10636 3/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
RECQL P46063 1/20 0.53
RUNX1 Q01196 1/20 0.52
MEN1 O00255 3/20 0.50

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
SCHEMBL4496843 0.94 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL19205885 0.90 GUSB (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL8564795 0.89 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1170729 0.88 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL8108604 0.87 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2324292 0.86 NPC1 (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL179162 0.84 MGAM (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2315076 0.84 AURKA (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4813791 0.83 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9041717 0.82 STK33 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482373-B2 Bis-benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2009-01-27 US disclosed
US-20070027200-A1 Bis-benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2007-02-01 US disclosed
US-7132439-B2 Bis-benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2006-11-07 US disclosed
US-20040029925-A1 Bis-benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2004-02-12 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 (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-20070027200-A1 Bis-benzimidazoles and related compounds as potassium channel modulators KCNJ2, KCNA3, KCNB2 NPC1 1216/4885RAB9A 3054/4885SMN1; SMN2 4422/4885
US-20040029925-A1 Bis-benzimidazoles and related compounds as potassium channel modulators KCNJ2, KCNA3, KCNB2 NPC1 1216/4885RAB9A 3054/4885SMN1; SMN2 4422/4885

“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.