SCHEMBL5241978

SCHEMBL5241978

O=c1[nH]c2cc(Nc3ccccc3)ccc2n1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.57
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
ERCC1 P07992 1/20 0.51
DNASE1 P24855 1/20 0.51
FEN1 P39748 1/20 0.51
ERCC4 Q92889 1/20 0.51
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
EPHX2 P34913 3/20 0.47
PPARG P37231 1/20 0.47
APP P05067 1/20 0.44
CYP3A4 P08684 1/20 0.44
BRD4 O60885 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5243425 0.94 LMNA (0.64) PGRLMNAHTTERCC1DNASE1
SCHEMBL5242850 0.93 PGR (0.51) PGRLMNAHTTERCC1DNASE1
SCHEMBL5243161 0.93 PGR (0.57) PGRLMNAHTTERCC1DNASE1
SCHEMBL5240296 0.93 PGR (0.51) PGRLMNAHTTERCC1DNASE1
SCHEMBL5242664 0.92 PGR (0.65) PGRLMNAHTTERCC1DNASE1
SCHEMBL5244095 0.91 EPHX2 (0.52) PGRLMNAHTTERCC1DNASE1
SCHEMBL5242867 0.90 PGR (0.48) PGRLMNAHTTERCC1DNASE1
SCHEMBL5242617 0.90 PGR (0.60) PGRLMNAHTTERCC1DNASE1
SCHEMBL5245102 0.89 EPHX2 (0.50) PGRLMNAHTTERCC1DNASE1
SCHEMBL5244062 0.89 SMN1; SMN2 (0.56) PGRLMNAHTTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115644-B2 Heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-10-03 US claimed
EP-1539708-B1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-12-26 EP disclosed
EP-1539708-B1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-12-26 EP disclosed
US-7115644-B2 Heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-10-03 US disclosed
US-20040192748-A1 Heterocyclic compounds BOEHRINGER INGELHEIM PARMACEUTICALS, INC. 2004-09-30 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 (1 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-20040192748-A1 Heterocyclic compounds IL1B, CCL5, IL4 PGR 797/4885LMNA 900/4885HTT 3077/4885

“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.