SCHEMBL3598304

SCHEMBL3598304

OC1Cc2ccc(Cl)c3cccc1c23

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.36
POLB P06746 1/20 0.36
ERCC1 P07992 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2A6 P11509 3/20 0.35
TYMS P04818 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL3590810 0.79
SCHEMBL3577943 0.79
SCHEMBL3583212 0.79 CYP1B1 (0.33) CYP1A2
SCHEMBL27778175 0.76 TYMS (0.36) CYP1A2POLBERCC1MAPTTSHR
SCHEMBL3590871 0.76 KMT2A (0.46) POLBMAPTALOX12KDM4EALDH1A1
SCHEMBL27778129 0.73 CYP1A2 (0.37) CYP1A2POLBERCC1MAPTTSHR
SCHEMBL6156286 0.73 LMNA (0.37) CYP1A2POLBMAPTTSHRTDP1
SCHEMBL7883274 0.72 MTNR1A (0.47) CYP1A2TSHRTYMSKDM4EALDH1A1
SCHEMBL345448 0.72 MTNR1A (0.47) CYP1A2TSHRTYMSKDM4EALDH1A1
SCHEMBL2240250 0.72 MTNR1A (0.47) CYP1A2TSHRTYMSKDM4EALDH1A1

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-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
CN-101622241-B Benzimidazole compound and medical application thereof MITSUBISHI TANABE PHARMA CORP 2013-05-22 CN disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
CN-101622241-A Benzimidazole compound and medical application thereof MITSUBISHI TANABE PHARMA CORP 2010-01-06 CN 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 CYP1A2 112/4885POLB 3259/4885ERCC1 4842/4885

“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.