SCHEMBL178506

SCHEMBL178506

CNC(C)c1ccc(F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A3 Q01959 3/20 0.47
KCNH2 Q12809 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MDM2 Q00987 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAPGEF4 Q8WZA2 1/20 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
SCHEMBL15419067 1.00 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL10087245 0.85 GPR139 (0.40) SLC6A4KCNH2ALDH1A1LMNAHTT
SCHEMBL178544 0.82 ALDH1A1 (0.41) SLC6A4SLC6A2SLC6A3KCNH2MAPK1
SCHEMBL8354107 0.82 ALDH1A1 (0.41) SLC6A4SLC6A2SLC6A3KCNH2MAPK1
SCHEMBL13267449 0.82 ALDH1A1 (0.54) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL13267451 0.82 ALDH1A1 (0.41) SLC6A4SLC6A2SLC6A3KCNH2MAPK1
SCHEMBL178624 0.82 ALDH1A1 (0.54) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL10087186 0.80 HTT (0.42) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL10087258 0.80 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4
SCHEMBL530400 0.79 SLC6A2 (0.44) SLC6A4SLC6A2SLC6A3KCNH2CYP3A4

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
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 SLC6A4 286/4885SLC6A2 509/4885SLC6A3 532/4885

“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.