SCHEMBL3728061

SCHEMBL3728061

N#CCOc1c(F)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
HTR1A P08908 11/20 0.37
SLC6A2 P23975 11/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNN4 O15554 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL24096257 0.87 KCNN4 (0.37) HTR1ASLC6A2ALDH1A1KMT2APOLB
SCHEMBL9921644 0.79 SCN8A (0.40) HTR1ASLC6A2SLC6A4KCNN4
SCHEMBL12129077 0.76 L3MBTL1 (0.47) TAAR1HTR1ASLC6A2GAAALDH1A1
SCHEMBL19209996 0.76 TAAR1 (0.41) TAAR1HTR1ASLC6A2GAAALDH1A1
SCHEMBL28881052 0.75 ERN1 (0.43) ALDH1A1KMT2AHTTKCNN4ALOX5AP
SCHEMBL9918366 0.75 TSHR (0.35) SLC6A2ALDH1A1POLBALOX15HTT
SCHEMBL21601405 0.74 TAAR1 (0.48) TAAR1HTR1ASLC6A2GAAKMT2A
SCHEMBL21595767 0.73 KMT2A (0.42) TAAR1HTR1ASLC6A2GAAALDH1A1
SCHEMBL1018512 0.71 KDM1A (0.54) HTR1ASLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL17607156 0.71 CXCR5 (0.42) TAAR1HTR1ASLC6A2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 TAAR1 4527/4885HTR1A 3389/4885SLC6A2 3064/4885

“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.