SCHEMBL14754331

SCHEMBL14754331

CNC1=C(S)Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
TDP2 O95551 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
MAP3K14 Q99558 1/20 0.37
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
ADRA2A P08913 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
DRD1 P21728 2/20 0.36
DRD3 P35462 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36

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
Fluorene SCHEMBL27668323 0.71 MAOA (0.56) MAOABCHECES1ADRA2ASLC6A2
SCHEMBL15384315 0.68 ALDH1A1 (0.45) MAOATDP2CASP3CASP7CASP9
Fluorene SCHEMBL29290194 0.67 NPC1 (0.54) MAOABCHECES1ADRA2ASLC6A2
SCHEMBL20662526 0.67 CES1 (0.42) CES1ADRA2ASLC6A2SLC6A4DRD1
Fluorene SCHEMBL28150649 0.65 MAOA (0.62) MAOATDP2CASP3CASP7CASP9
Fluorene SCHEMBL545861 0.64 MAOA (0.68) MAOATDP2CASP3CASP7CASP9
Fluorene SCHEMBL29478468 0.64 MAOA (0.68) MAOATDP2CASP3CASP7CASP9
Fluorene SCHEMBL29355380 0.64 MAOA (0.68) MAOATDP2CASP3CASP7CASP9
Fluorene SCHEMBL31388525 0.64 MAOA (0.68) MAOATDP2CASP3CASP7CASP9
Fluorene SCHEMBL8180 0.64 MAOA (0.68) MAOATDP2CASP3CASP7CASP9

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-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 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-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MAOA 1031/4885TDP2 1873/4885CASP3 1188/4885

“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.