SCHEMBL3566302

SCHEMBL3566302

C=C(c1ccc(Cl)cc1)c1ccc(C=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.67
▸ ALDH1A1 P00352 4/20 0.48
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ ALDH5A1 P51649 1/20 0.43
▸ ABAT P80404 1/20 0.43
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAOB P27338 2/20 0.41
▸ CXCL12 P48061 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ PARP3 Q9Y6F1 1/20 0.39

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
Ethylene SCHEMBL27951982 0.82 HSD17B10 (0.89) HSD17B10ALDH1A1ALDH5A1ABATCYP1A2
SCHEMBL1796583 0.82 MAPT (0.55) HSD17B10ALDH1A1CES2CES1ALOX15
SCHEMBL1919 0.82 — —
SCHEMBL3565290 0.81 HSD17B10 (0.70) HSD17B10ALDH1A1CES2CES1ALDH5A1
SCHEMBL17521331 0.81 ALDH1A1 (0.56) HSD17B10ALDH1A1CES2CES1ALDH5A1
Methyl Alcohol SCHEMBL28044962 0.80 HSD17B10 (0.84) HSD17B10ALDH1A1ALDH5A1ABATCYP1A2
Hydrochloric Acid SCHEMBL27964006 0.79 MAPT (0.52) HSD17B10ALDH1A1CES2CES1ALOX15
SCHEMBL8995751 0.79 HSD17B10 (0.94) HSD17B10ALDH1A1ALDH5A1ABATCYP1A2
SCHEMBL31544783 0.79 HSD17B10 (0.94) HSD17B10ALDH1A1ALDH5A1ABATCYP1A2
SCHEMBL28981622 0.79 HSD17B10 (0.94) HSD17B10ALDH1A1ALDH5A1ABATCYP1A2

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 1427/4885CES2 1968/4885
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, CDS2, DDB1 HSD17B10 4680/4885ALDH1A1 1463/4885CES2 1649/4885

“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.

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