SCHEMBL15813798

SCHEMBL15813798

Cc1cc(Cl)ccc1C1SCC(=O)Nc2nn(C)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TP53 P04637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
SLC8B1 Q6J4K2 1/20 0.44
PROKR1 Q8TCW9 7/20 0.41
MMP12 P39900 1/20 0.37
GAA P10253 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
BRD4 O60885 2/20 0.35
BRD2 P25440 2/20 0.35
BRD3 Q15059 2/20 0.35
FPR2 P25090 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL15828472 0.81 PROKR1 (0.40) PROKR1MMP12TAAR1BRD4BRD2
SCHEMBL15813572 0.76 MAPT (0.48) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL15814005 0.75 MAPT (0.45) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL15814040 0.72 MAPT (0.37) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL15813683 0.70 MAPT (0.40) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL15813716 0.69 TP53 (0.40) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL15814148 0.69 MAPT (0.36) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL15813197 0.69 MAPT (0.42) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL15813492 0.69 MDM4 (0.36) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL10044117 0.68 TP53 (0.79) MAPTTP53CYP1A2CYP2C9ALOX15

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-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 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-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 MAPT 4520/4885TP53 1106/4885CYP1A2 192/4885

“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.