SCHEMBL4496027

SCHEMBL4496027

CCNC(=S)Nc1ccc2[nH]c(-c3ccccc3-c3nc4cc(NC(=S)NCC)ccc4[nH]3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
RAB9A P51151 4/20 0.65
MAPT P10636 4/20 0.65
NPC1 O15118 3/20 0.65
ALDH1A1 P00352 5/20 0.53
HTT P42858 3/20 0.53
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL8351653 0.90 KDM4E (0.65) KDM4ERAB9AMAPTNPC1ALDH1A1
SCHEMBL4496023 0.86 KDM4E (0.51) KDM4ERAB9AMAPTNPC1ALDH1A1
SCHEMBL4483537 0.83 KDM4E (0.54) KDM4ERAB9AMAPTNPC1ALDH1A1
SCHEMBL4508668 0.81 MAPT (0.50) KDM4ERAB9AMAPTNPC1ALDH1A1
SCHEMBL4496122 0.78 KDM4E (0.61) KDM4ERAB9AMAPTNPC1ALDH1A1
SCHEMBL4496830 0.78 PTPRC (0.53) KDM4ERAB9AMAPTNPC1ALDH1A1
SCHEMBL4480173 0.77 DGAT1 (0.60) KDM4ERAB9AMAPTNPC1ALDH1A1
SCHEMBL4496033 0.74 TP53 (0.38) KDM4ERAB9AMAPTNPC1ALDH1A1
SCHEMBL4496201 0.73 TP53 (0.49) KDM4ERAB9AMAPTNPC1ALDH1A1
SCHEMBL8160305 0.72 MAPT (0.51) KDM4ERAB9AMAPTNPC1ALDH1A1

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 KDM4E 488/4885RAB9A 3054/4885MAPT 2367/4885
US-20040029925-A1 Bis-benzimidazoles and related compounds as potassium channel modulators KCNJ2, KCNA3, KCNB2 KDM4E 488/4885RAB9A 3054/4885MAPT 2367/4885

“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.