SCHEMBL3570463

SCHEMBL3570463

O=Cc1ccc(C2(c3ccc(Cl)cc3)OCCO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHEK2 O96017 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CYP26A1 O43174 1/20 0.37
CYP3A4 P08684 1/20 0.37
GSK3B P49841 1/20 0.35
ALDH3A1 P30838 1/20 0.35
ALDH1A3 P47895 1/20 0.35
MYC P01106 1/20 0.35
NAT1 P18440 1/20 0.35
MAX P61244 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL15874277 0.84 CHEK2 (0.43) HSD17B10ALDH1A1MAPTPOLBCHEK2
SCHEMBL3565601 0.84 ALDH1A1 (0.46) HSD17B10ALDH1A1KDM4EPOLBCHEK2
Fluoride SCHEMBL28312830 0.78 HSD17B10 (0.94) HSD17B10ALDH1A1KDM4EMAPTPOLB
SCHEMBL1919 0.76
SCHEMBL5783012 0.76 MAOA (0.42) HSD17B10ALDH1A1MAPTCHEK2MAPK1
SCHEMBL3562339 0.76 CNR1 (0.39) HSD17B10ALDH1A1MAPTPOLBCHEK2
SCHEMBL31544783 0.73 HSD17B10 (0.94) HSD17B10ALDH1A1KDM4ECYP3A4MAPK1
SCHEMBL8995751 0.73 HSD17B10 (0.94) HSD17B10ALDH1A1KDM4EMAPTPOLB
SCHEMBL27737708 0.73
Hydrochloric Acid SCHEMBL5255687 0.73 HSD17B10 (0.94) HSD17B10ALDH1A1KDM4EMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687639-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-30 US disclosed
EP-1613313-B1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-4,5]-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2007-06-06 EP disclosed
US-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines BW CONVERTING AB (SE) 2006-11-09 US disclosed
US-7132440-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-07 US disclosed
EP-1613313-A1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-4,5!-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-11 EP disclosed
WO-2004093873-A1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-`4,5!-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-04 WO disclosed
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA, N.V. (BE) 2004-10-28 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-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDKN1A, DDB1, TMBIM6 HSD17B10 4524/4885ALDH1A1 1427/4885KDM4E 3815/4885
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, CDS2, DDB1 HSD17B10 4680/4885ALDH1A1 1463/4885KDM4E 3150/4885

“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.