SCHEMBL178502

SCHEMBL178502

CNC(C)c1ccc(F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.54
SLC6A4 P31645 9/20 0.54
KCNH2 Q12809 8/20 0.54
MDM2 Q00987 3/20 0.40
GPR139 Q6DWJ6 2/20 0.39
SOS1 Q07889 1/20 0.39
P2RX7 Q99572 2/20 0.38
NR3C2 P08235 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 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
SCHEMBL8298242 0.80 LMNA (0.59) HTR2ASLC6A4KCNH2LMNATP53
SCHEMBL178508 0.80 HTR2A (0.47) HTR2ASLC6A4KCNH2GPR139
SCHEMBL8353840 0.80 LMNA (0.59) HTR2ASLC6A4KCNH2LMNATP53
SCHEMBL19965517 0.80 LMNA (0.59) HTR2ASLC6A4KCNH2LMNATP53
SCHEMBL8298232 0.80 HTR2A (0.47) HTR2ASLC6A4KCNH2GPR139
SCHEMBL420958 0.79 LMNA (0.42) HTR2ASLC6A4KCNH2MDM2P2RX7
SCHEMBL17061753 0.78 LMNA (0.41) HTR2ASLC6A4KCNH2MDM2GPR139
SCHEMBL30202666 0.78 GPR139 (0.48) MDM2GPR139P2RX7NR3C2LMNA
SCHEMBL30989844 0.77 SLC6A4 (0.45) HTR2ASLC6A4KCNH2GPR139
SCHEMBL25376121 0.77 PDE2A (0.65) HTR2ASLC6A4KCNH2LMNA

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.