SCHEMBL139350

SCHEMBL139350

Cc1ccc(C(C)Nc2ccc(-c3ccoc3C(=O)NNC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)cc1C

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.59
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AURKB Q96GD4 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
TP53 P04637 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
SCHEMBL16222873 1.00 GCGR (0.59) GCGRALDH1A1MAPTTDP1MEN1
SCHEMBL135593 0.93 GCGR (0.57) GCGRALDH1A1MAPTMEN1KMT2A
SCHEMBL16222868 0.93 GCGR (0.57) GCGRALDH1A1MAPTMEN1KMT2A
SCHEMBL138655 0.93 GCGR (0.57) GCGRALDH1A1MAPTTDP1MEN1
SCHEMBL138764 0.92 GCGR (0.61) GCGRALDH1A1MAPTMEN1KMT2A
SCHEMBL143135 0.92 GCGR (0.61) GCGRALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL142406 0.91 GCGR (0.60) GCGRALDH1A1MAPTMEN1KMT2A
SCHEMBL141633 0.90 GCGR (0.61) GCGRALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL139787 0.90 GCGR (0.61) GCGRALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL138012 0.90 GCGR (0.57) GCGRALDH1A1MAPTMEN1KMT2A

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 4122/4885ALDH1A1 96/4885MAPT 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.