SCHEMBL178508

SCHEMBL178508

CNC(C)c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.47
SLC6A4 P31645 5/20 0.47
KCNH2 Q12809 4/20 0.47
HDAC6 Q9UBN7 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SLC6A2 P23975 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CYP2D6 P10635 1/20 0.38
MC4R P32245 1/20 0.38
RECQL P46063 1/20 0.37
ALK Q9UM73 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GPR139 Q6DWJ6 1/20 0.36
NTRK1 P04629 1/20 0.36
PDE2A O00408 1/20 0.35
NR1I2 O75469 1/20 0.35
SCN1A P35498 1/20 0.35
SCN1B Q07699 1/20 0.35

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
SCHEMBL8298232 1.00 HTR2A (0.47) HTR2ASLC6A4KCNH2HDAC6CES2
SCHEMBL20575169 0.83 HTR2A (0.55) HTR2ASLC6A4KCNH2CES2CES1
SCHEMBL18475407 0.83 HDAC6 (0.45) HTR2ASLC6A4KCNH2HDAC6CES2
SCHEMBL18589009 0.83 HTR2A (0.55) HTR2ASLC6A4KCNH2CES2CES1
SCHEMBL29766805 0.83 HTR2A (0.55) HTR2ASLC6A4KCNH2CES2CES1
SCHEMBL26949026 0.83 HTR2A (0.55) HTR2ASLC6A4KCNH2CES2CES1
SCHEMBL23134302 0.82 HTR2A (0.44) HTR2ASLC6A4KCNH2SLC6A2CYP2D6
SCHEMBL10315773 0.82 HDAC6 (0.41) HDAC6CES2CES1SLC6A2IDO1
SCHEMBL178502 0.80 HTR2A (0.54) HTR2ASLC6A4KCNH2GPR139
SCHEMBL765645 0.80 APLNR (0.45) HTR2ASLC6A4KCNH2CYP2D6ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612131-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2025-09-10 EP disclosed
WO-2024095003-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2024-05-10 WO disclosed
WO-2021097075-A1 SUBSTITUTED ISOINDOLONYL 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-05-20 WO disclosed
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-8426359-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-23 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 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.