SCHEMBL139459

SCHEMBL139459

COc1ccc(C(C)Nc2ccc(-c3ccoc3C(=O)NNC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.54
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
DPP9 Q86TI2 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 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
SCHEMBL140857 0.93 GCGR (0.57) GCGRKMT2AALDH1A1TDP1
SCHEMBL141529 0.92 GCGR (0.58) GCGRKMT2AALDH1A1
SCHEMBL139583 0.91 GCGR (0.54) GCGRKMT2AALDH1A1TDP1
SCHEMBL138707 0.90 GCGR (0.54) GCGRKMT2AALDH1A1TDP1
SCHEMBL139361 0.89 GCGR (0.56) GCGR
SCHEMBL135593 0.89 GCGR (0.57) GCGRKMT2AALDH1A1
SCHEMBL16222868 0.89 GCGR (0.57) GCGRKMT2AALDH1A1
SCHEMBL141277 0.88 GCGR (0.58) GCGRKMT2AALDH1A1
SCHEMBL16222874 0.88 GCGR (0.60) GCGRKMT2AALDH1A1
SCHEMBL142229 0.88 GCGR (0.60) GCGRKMT2AALDH1A1

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
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP claimed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US claimed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 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 (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-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 GCGR 4122/4885KMT2A 3908/4885ALDH1A1 96/4885

“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.