SCHEMBL178548

SCHEMBL178548

CNC(C)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COASY Q13057 1/20 0.44
CASR P41180 3/20 0.43
PNMT P11086 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ACP3 P15309 1/20 0.41
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
AOC3 Q16853 1/20 0.40
SLC2A1 P11166 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
GPR139 Q6DWJ6 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL8246636 1.00 COASY (0.44) COASYCASRPNMTADRB2ADRB1
SCHEMBL28277765 0.85 COASY (0.46) COASYCASRPNMTADRB2ADRB1
SCHEMBL15247597 0.85 COASY (0.46) COASYCASRPNMTADRB2ADRB1
SCHEMBL25627915 0.82 CASR (0.48) COASYCASRPNMTADRB2ADRB1
SCHEMBL12330147 0.82 COASY (0.47) COASYCASRPNMTADRB2ADRB1
SCHEMBL11455315 0.82 PNMT (0.44) COASYCASRPNMTADRB2ADRB1
SCHEMBL24016995 0.81 ACP3 (0.42) PNMTADRB2ADRB1ADRB3ACP3
SCHEMBL24017080 0.81 ACP3 (0.42) PNMTADRB2ADRB1ADRB3ACP3
SCHEMBL6841214 0.81 SLC6A4 (0.44) COASYADRB2ADRB1ADRB3ACP3
SCHEMBL10087187 0.79 SLC6A2 (0.51) COASYCASRPNMTADRB2ADRB1

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 6 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
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 CN disclosed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 CN disclosed
EP-0600507-B1 3-Azabicyclo(3.1.0.)hexane-2-one derivatives and Herbicidal Compositions Containing them as Herbicidally Active Ingredients MITSUI TOATSU CHEMICALS (JP) 1996-03-06 EP 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 COASY 274/4885CASR 3310/4885PNMT 4743/4885

“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.