SCHEMBL4496830

SCHEMBL4496830

CCCC(=O)Nc1ccc2[nH]c(-c3ccccc3-c3nc4cc(NC(=O)CCC)ccc4[nH]3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
LDLR P01130 1/20 0.52
MMP2 P08253 4/20 0.48
MMP9 P14780 3/20 0.48
MMP8 P22894 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 1/20 0.48
MMP13 P45452 3/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2245457 0.89 MMP2 (0.58) NPC1RAB9ATP53MMP2MMP9
SCHEMBL13375027 0.83 PDPK1 (0.57)
SCHEMBL2245599 0.83 EGFR (0.64) NPC1RAB9ATP53MMP2MMP9
SCHEMBL4496122 0.83 KDM4E (0.61) NPC1RAB9ATP53ALDH1A1HPGD
SCHEMBL2242093 0.82 KDR (0.59) RAB9ATP53MMP2MMP9MMP8
SCHEMBL4480173 0.82 DGAT1 (0.60) NPC1RAB9ATP53RXFP1LDLR
SCHEMBL14432228 0.82 HPSE (0.62) NPC1RAB9ATP53MMP2MMP9
SCHEMBL15702615 0.80 MMP2 (0.61) MMP2MMP9MMP8MMP13PKM
SCHEMBL4496201 0.78 TP53 (0.49) NPC1RAB9ATP53RXFP1ALDH1A1
SCHEMBL4496027 0.78 KDM4E (0.65) NPC1RAB9ATP53RXFP1ALDH1A1

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 PTPRC 3560/4885NPC1 1216/4885RAB9A 3054/4885
US-20040029925-A1 Bis-benzimidazoles and related compounds as potassium channel modulators KCNJ2, KCNA3, KCNB2 PTPRC 3560/4885NPC1 1216/4885RAB9A 3054/4885

“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.