SCHEMBL3590871

SCHEMBL3590871

COc1ccc2c3c(cccc13)C(O)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
USP2 O75604 2/20 0.46
S100A4 P26447 1/20 0.46
MAPT P10636 5/20 0.40
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
PABPC1 P11940 1/20 0.40
XBP1 P17861 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
SMARCA2 P51531 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
POLL Q9UGP5 1/20 0.39
PRMT1 Q99873 1/20 0.38
CASP1 P29466 2/20 0.38

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
SCHEMBL3598304 0.76 CYP1A2 (0.36) MAPTPOLBKDM4EALDH1A1LMNA
SCHEMBL3577943 0.76
SCHEMBL3590810 0.76
SCHEMBL3583212 0.76 CYP1B1 (0.33) PNMT
SCHEMBL27799039 0.74 KMT2A (0.39) KMT2AMEN1USP2S100A4MAPT
SCHEMBL3581151 0.71 KMT2A (0.37) KMT2AMEN1USP2S100A4MAPT
SCHEMBL3581154 0.71 KMT2A (0.37) KMT2AMEN1USP2S100A4MAPT
SCHEMBL14827322 0.71 USP2 (0.45) KMT2AMEN1USP2S100A4MAPT
SCHEMBL18499935 0.71 KMT2A (0.68) KMT2AMEN1USP2S100A4MAPT
SCHEMBL6156286 0.70 LMNA (0.37) KMT2AMEN1USP2MAPTGAA

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 KMT2A 2633/4885MEN1 2720/4885USP2 4063/4885

“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.