SCHEMBL178515

SCHEMBL178515

CNC(C)c1cc(C)oc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
CYP2D6 P10635 1/20 0.35
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR2A P28223 4/20 0.33
SLC6A4 P31645 4/20 0.33
KCNH2 Q12809 3/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
NQO1 P15559 1/20 0.31
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4298346 0.77 ALOX5 (0.48) ALOX5MAPTKDM4ECA1CA9
SCHEMBL13138022 0.75 ALOX5 (0.38) ALOX5MAPTKDM4EALDH1A1PKM
SCHEMBL7020503 0.73 ALOX5 (0.50) ALOX5CYP2D6MAPTKDM4EHTT
SCHEMBL6610370 0.72 ALOX5 (0.39) ALOX5MAPTKDM4EALDH1A1PKM
SCHEMBL11844598 0.70 ALOX5 (0.47) ALOX5MAPTKDM4EHTTCA1
SCHEMBL22924946 0.70 ALOX5 (0.43) ALOX5MAPTKDM4EALDH1A1PKM
SCHEMBL9566167 0.65 ALOX5 (0.47) ALOX5MAPTKDM4EALDH1A1HTT
SCHEMBL11687966 0.64 ALOX5 (0.42) ALOX5MAPTKDM4EALDH1A1PKM
SCHEMBL13479576 0.64 TDP1 (0.46) ALOX5CYP2D6MAPTHTR2ASLC6A4
SCHEMBL23385545 0.63 ALOX5 (0.41) ALOX5MAPTKDM4ECA1CA9

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 ALOX5 542/4885CYP2D6 72/4885MAPT 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.