SCHEMBL3579482

SCHEMBL3579482

O=C1Cc2cccc3ccc(Cl)c1c23

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HPGD P15428 4/20 0.55
KDM4E B2RXH2 3/20 0.55
TSHR P16473 4/20 0.50
CYP3A4 P08684 3/20 0.50
HSD17B10 Q99714 4/20 0.36
CYP1A2 P05177 3/20 0.36
TYMS P04818 2/20 0.36
CYP2C19 P33261 1/20 0.36
AHR P35869 1/20 0.36
PARP1 P09874 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
BCHE P06276 2/20 0.33
CES1 P23141 2/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL30067310 1.00 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL30067516 0.84 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL30067599 0.82 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL3578018 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL3589441 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL30067484 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL20589092 0.77 AHR (0.47) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL3595861 0.75 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL30067609 0.73 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL30067415 0.73 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ETSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 EP 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 ALDH1A1 63/4885HPGD 2876/4885KDM4E 3547/4885

“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.