SCHEMBL178483

SCHEMBL178483

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 5/20 0.40
S1PR1 P21453 6/20 0.40
S1PR4 O95977 1/20 0.39
TSPO P30536 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 2/20 0.39
GPR139 Q6DWJ6 2/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
SCHEMBL13076693 1.00 ALDH1A1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL9070740 1.00 ALDH1A1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL8284254 0.84 CYP3A4 (0.42) ALDH1A1LMNAHTTSMN1; SMN2SLC6A3
SCHEMBL13267449 0.83 ALDH1A1 (0.54) ALDH1A1LMNAHTTSMN1; SMN2SLC6A3
SCHEMBL178624 0.83 ALDH1A1 (0.54) ALDH1A1LMNAHTTSMN1; SMN2SLC6A3
SCHEMBL11632283 0.82 MAPK1 (0.41) ALDH1A1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL2669158 0.81 TP53 (0.45) ALDH1A1LMNAHTR2ASLC6A4KCNH2
SCHEMBL2668990 0.81 TP53 (0.45) ALDH1A1LMNAHTR2ASLC6A4KCNH2
SCHEMBL1104688 0.79 LMNA (0.52) ALDH1A1LMNAHTTSMN1; SMN2S1PR1
SCHEMBL7415500 0.78 ALDH1A1 (0.39) ALDH1A1LMNAHTTSMN1; SMN2SLC6A3

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 2 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

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 ALDH1A1 96/4885LMNA 3481/4885HTT 3325/4885

“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.