SCHEMBL4487883

SCHEMBL4487883

Nc1ccccc1NC(=O)c1ccccc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.66
HDAC3 O15379 6/20 0.66
HDAC2 Q92769 6/20 0.66
MAPK1 P28482 1/20 0.66
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
KDM4E B2RXH2 1/20 0.65
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
HSD17B10 Q99714 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 1/20 0.59
NCOR2 Q9Y618 2/20 0.58
PYGL P06737 1/20 0.57
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54

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
SCHEMBL8399721 0.93 HDAC1 (0.69) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL392793 0.87 NPC1 (0.70) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL8664347 0.86 HDAC1 (0.62) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL1702919 0.86 NPC1 (0.74) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL30489855 0.86 NPC1 (0.74) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL5245919 0.86 HDAC1 (0.61) HDAC1HDAC3HDAC2MAPK1NPC1
Hydrochloric Acid SCHEMBL11743643 0.85 NPC1 (0.68) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL2058331 0.85 ALDH1A1 (0.68) NPC1RAB9AKMT2AALDH1A1NCOR2
SCHEMBL7722705 0.84 NPC1 (0.72) HDAC1HDAC3HDAC2MAPK1NPC1
SCHEMBL7717671 0.84 NPC1 (0.72) HDAC1HDAC3HDAC2MAPK1NPC1

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 6 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-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-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 HDAC1 652/4885HDAC3 277/4885HDAC2 328/4885
US-20040029925-A1 Bis-benzimidazoles and related compounds as potassium channel modulators KCNJ2, KCNA3, KCNB2 HDAC1 652/4885HDAC3 277/4885HDAC2 328/4885

“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.