SCHEMBL178636

SCHEMBL178636

CNC(C)c1cc(Cl)sc1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.35
SLC6A4 P31645 9/20 0.35
KCNH2 Q12809 8/20 0.35
CYP2D6 P10635 1/20 0.34
DAO P14920 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CCND1 P24385 1/20 0.30
CDK2 P24941 1/20 0.30
CDK7 P50613 1/20 0.30
CCNH P51946 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK6 Q00534 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
SCHEMBL7937101 0.78 GABRA1 (0.39) DAOKDM4EMAPTHPGDL3MBTL1
SCHEMBL28053261 0.74 DAO (0.34) DAOKDM4EMAPTHPGDL3MBTL1
SCHEMBL23362973 0.74 DAO (0.39) DAOKDM4EMAPTHPGDL3MBTL1
SCHEMBL23362972 0.74 DAO (0.39) DAOKDM4EMAPTHPGDL3MBTL1
SCHEMBL20683631 0.71 TSHR (0.36) DAOHPGDCDK1CCNB1CCNA2
SCHEMBL25425456 0.68 GSK3B (0.34) DAOHPGD
SCHEMBL23411290 0.68 DAO (0.47) KCNH2CYP2D6DAOKDM4EMAPT
SCHEMBL20034718 0.68 HCAR2 (0.32) DAO
SCHEMBL25308367 0.64 DAO (0.39) DAOKDM4EMAPTHPGDL3MBTL1
SCHEMBL178490 0.64 SLC6A4 (0.50) HTR2ASLC6A4KCNH2CYP2D6MAPT

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 HTR2A 2926/4885SLC6A4 286/4885KCNH2 1115/4885

“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.