SCHEMBL3560743

SCHEMBL3560743

O=C(c1ccc(Cl)cc1)c1ccc(C2OCCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
SRD5A2 P31213 1/20 0.50
HPGD P15428 2/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PHGDH O43175 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6809631 0.84 MAPK1 (0.50) MAPK1LMNA
SCHEMBL3765025 0.79 SMN1; SMN2 (0.45) MAPK1CES2CES1MAPTLMNA
SCHEMBL4088776 0.77 TSHR (0.50) MAPK1SRD5A2HPGDCES2CES1
SCHEMBL2633867 0.77 MAPK1 (0.47) MAPK1ALDH1A1LMNA
SCHEMBL51827 0.76 SRD5A2 (0.80) MAPK1SRD5A2HPGDCES2CES1
SCHEMBL10697158 0.76 SRD5A2 (0.80) MAPK1SRD5A2HPGDCES2CES1
SCHEMBL1681512 0.76 SRD5A2 (0.80) MAPK1SRD5A2HPGDCES2CES1
SCHEMBL9065412 0.76 SRD5A2 (0.80) MAPK1SRD5A2HPGDCES2CES1
SCHEMBL1429353 0.76 SMN1; SMN2 (0.56) MAPK1HPGDMAPTKDM4EALDH1A1
SCHEMBL3569410 0.75 MAPK1 (0.47) MAPK1HPGDTDP1TSHRALDH1A1

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 MAPK1 232/4885SRD5A2 4036/4885HPGD 3093/4885
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, CDS2, DDB1 MAPK1 541/4885SRD5A2 3345/4885HPGD 3725/4885

“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.