SCHEMBL138686

SCHEMBL138686

Cc1cccc(C(C)Nc2ccc(-c3ccoc3C(=O)NNC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.58
POLB P06746 2/20 0.39
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
AURKB Q96GD4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SOS1 Q07889 1/20 0.35

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
SCHEMBL140819 0.92 GCGR (0.58) GCGRMAPTMAPK1AURKBALDH1A1
SCHEMBL141695 0.92 GCGR (0.61) GCGRPOLBMAPTMAPK1AURKB
SCHEMBL16222869 0.92 GCGR (0.61) GCGRPOLBMAPTMAPK1AURKB
SCHEMBL143135 0.91 GCGR (0.61) GCGRMAPTMAPK1AURKBALDH1A1
SCHEMBL138764 0.91 GCGR (0.61) GCGRMAPTMAPK1AURKBALDH1A1
SCHEMBL138012 0.91 GCGR (0.57) GCGRPOLBMAPTMAPK1AURKB
Hydrochloric Acid SCHEMBL142406 0.90 GCGR (0.60) GCGRMAPTMAPK1AURKBALDH1A1
SCHEMBL139350 0.89 GCGR (0.59) GCGRMAPTMAPK1AURKBALDH1A1
SCHEMBL16222873 0.89 GCGR (0.59) GCGRMAPTMAPK1AURKBALDH1A1
SCHEMBL142557 0.88 GCGR (0.57) GCGRPOLBMAPTMAPK1AURKB

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 4122/4885POLB 4739/4885MAPT 4636/4885

“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.