SCHEMBL10189787

SCHEMBL10189787

CNC(C)c1ccc(F)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 1/20 0.44
ROCK2 O75116 1/20 0.40
PRKG1 Q13976 1/20 0.40
IDH1 O75874 2/20 0.39
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
KDM1A O60341 1/20 0.38
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 1/20 0.37
GRM2 Q14416 1/20 0.37
GRM3 Q14832 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
SCHEMBL178499 0.86 CYP2D6 (0.49) CYP2D6CA1CA2ACHEROCK2
SCHEMBL178554 0.83 ACHE (0.60) CYP2D6CA1CA2ACHEHPGD
Hydrochloric Acid SCHEMBL3657271 0.81 ACHE (0.58) CYP2D6CA1CA2ACHEHPGD
SCHEMBL21091992 0.81 CYP1A2 (0.44) CA1CA2ACHEROCK2PRKG1
SCHEMBL8221532 0.81 HDAC4 (0.47) CA1CA2ACHEROCK2PRKG1
SCHEMBL13075104 0.81 CXCR2 (0.42)
SCHEMBL20201976 0.80 ALDH1A1 (0.38) KDM1AHTR2ASLC6A4KCNH2GRM2
SCHEMBL3116296 0.80 CHRM2 (0.46) CYP2D6ACHEHPGDHTR2ALMNA
SCHEMBL17113704 0.80 CYP2D6 (0.46) CYP2D6CA1CA2ACHEHPGD
SCHEMBL20201966 0.79 CALM1 (0.37)

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 CYP2D6 72/4885CA1 895/4885CA2 314/4885

“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.