SCHEMBL178501

SCHEMBL178501

CNC(C)c1ccc(F)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.39
HTR2A P28223 7/20 0.39
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 5/20 0.36
HTR1B P28222 1/20 0.36
HTR2B P41595 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
CYP2D6 P10635 1/20 0.33
SIGMAR1 Q99720 2/20 0.31
MEN1 O00255 1/20 0.31
GBA1 P04062 1/20 0.31
KMT2A Q03164 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL21091971 0.80 SIGMAR1 (0.37) SLC6A4HTR2ASLC6A3KCNH2HTR1B
SCHEMBL25688660 0.80 HTR1B (0.37) SLC6A4SLC6A3HTR1BHTR2BGPR65
SCHEMBL12463310 0.79 HTR2B (0.42) SLC6A4SLC6A3HTR1BHTR2BGPR65
SCHEMBL14208403 0.78 CYP1A2 (0.52) SLC6A4HTR2AKCNH2CYP2D6
SCHEMBL7005259 0.77 HTR1B (0.30) HTR1BHTR2BGPR65
SCHEMBL2149997 0.77 HTR1B (0.30) HTR1BHTR2BGPR65
SCHEMBL29198591 0.76 POLB (0.54) SIGMAR1MEN1KMT2A
SCHEMBL24017669 0.76 SIGMAR1 (0.37) SLC6A4HTR2ASLC6A3KCNH2HTR1B
SCHEMBL7003988 0.76 PDE2A (0.43) SLC6A4HTR2ASLC6A3HTR1BHTR2B
SCHEMBL1253164 0.76 PDE2A (0.43) SLC6A4HTR2ASLC6A3HTR1BHTR2B

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 286/4885HTR2A 2926/4885SLC6A3 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.