SCHEMBL15813492

SCHEMBL15813492

Cc1cc(Cl)ccc1C1SCC(=O)Nc2c1c(C1CCCO1)nn2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.36
MDM2 Q00987 1/20 0.36
MAPT P10636 7/20 0.36
TP53 P04637 4/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
TSHR P16473 2/20 0.34
CYP1A2 P05177 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
SLC8B1 Q6J4K2 1/20 0.34
PROKR1 Q8TCW9 2/20 0.34
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 3/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL15813940 0.85 PROKR1 (0.34) MDM4MDM2PROKR1
SCHEMBL15813572 0.82 MAPT (0.48) MAPTTP53GAACYP2C9CYP2C19
SCHEMBL15814005 0.80 MAPT (0.45) MDM4MDM2MAPTTP53GAA
SCHEMBL15813902 0.79 TP53 (0.42) MAPTTP53GAACYP2C9CYP2C19
SCHEMBL15813716 0.76 TP53 (0.40) MDM4MDM2MAPTTP53GAA
SCHEMBL15814148 0.76 MAPT (0.36) MAPTTP53GAACYP2C9CYP2C19
SCHEMBL15814040 0.75 MAPT (0.37) MAPTTP53GAACYP2C9CYP2C19
SCHEMBL15813813 0.74 MAPT (0.48) MAPTTP53GAACYP2C9CYP2C19
SCHEMBL15813197 0.73 MAPT (0.42) MAPTTP53GAACYP2C9CYP2C19
SCHEMBL15813683 0.73 MAPT (0.40) MAPTTP53GAACYP2C9CYP2C19

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 MDM4 3821/4885MDM2 2382/4885MAPT 4520/4885

“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.