SCHEMBL178524

SCHEMBL178524

COC(=O)c1occc1-c1ccc(N[C@@H](C)c2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS1 P23219 1/20 0.38
HTT P42858 2/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL178522 0.85 GCG (0.40) NPC1ALDH1A1LMNAKDM4EHTT
SCHEMBL27851926 0.85 GCG (0.40) NPC1ALDH1A1LMNAKDM4EHTT
SCHEMBL12951708 0.76 ALDH1A1 (0.41) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL8791512 0.73 ALDH1A1 (0.48) SLC6A4SLC6A3RAB9AALDH1A1LMNA
SCHEMBL28372418 0.72 SLC6A3 (0.41) SLC6A4SLC6A3NPC1RAB9AALDH1A1
SCHEMBL107248 0.72 SLC6A3 (0.53) SLC6A4SLC6A3RAB9AALDH1A1KDM4E
SCHEMBL9672778 0.72 HTT (0.46) SLC6A4SLC6A3NPC1RAB9AALDH1A1
SCHEMBL12951578 0.71 HPGD (0.37) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL26559455 0.70 PRKCZ (0.52) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL746600 0.70 ADRB1 (0.46) ALDH1A1HPGDGCG

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-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
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
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 WO 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 SLC6A4 286/4885SLC6A3 532/4885NPC1 782/4885

“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.