SCHEMBL15614780

SCHEMBL15614780

CC(=O)c1ccc(NC2CCCc3c2[nH]c2ccc(C)cc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
CASP6 P55212 1/20 0.59
SIRT1 Q96EB6 3/20 0.57
CDKN1A P38936 1/20 0.56
RECQL P46063 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.56
CYP2D6 P10635 1/20 0.54
BRD3 Q15059 4/20 0.53
PRMT5 O14744 2/20 0.53
MAPT P10636 5/20 0.48
ALOX15 P16050 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
DHODH Q02127 1/20 0.43

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
SCHEMBL16941536 0.89 GAA (0.65) GAACASP6SIRT1CDKN1ARECQL
SCHEMBL15614732 0.89 CDKN1A (0.64) GAACASP6SIRT1CDKN1ARECQL
SCHEMBL15614787 0.84 GAA (0.60) GAACASP6SIRT1RECQLSIRT2
SCHEMBL15577178 0.84 GAA (0.60) GAACASP6SIRT1RECQLSIRT2
SCHEMBL16946169 0.84 CYP2D6 (0.74) GAACASP6SIRT1CDKN1ARECQL
SCHEMBL4156108 0.84 CYP2D6 (0.74) GAACASP6SIRT1CDKN1ARECQL
SCHEMBL4161447 0.82 BRD3 (0.77) GAACASP6SIRT1CDKN1ARECQL
SCHEMBL16941533 0.81 GAA (0.56) GAACASP6SIRT1CDKN1ARECQL
SCHEMBL4148059 0.80 MAPT (0.63) GAACASP6SIRT1SIRT2CYP2D6
SCHEMBL16433445 0.80 CYP2D6 (0.79) GAACASP6SIRT1RECQLSIRT2

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-20150210717-A1 SPECIFIC INHIBITORS OF PROTEIN P21 AS THERAPEUTIC AGENTS LEIBNIZ-INSTITUT FÜR ALTERSFORSCHUNG (DE) 2015-07-30 US disclosed
WO-2014041125-A1 SPECIFIC INHIBITORS OF PROTEIN P21 AS THERAPEUTIC AGENTS BADEN-WÜRTTEMBERG STIFTUNG GMBH (DE) 2014-03-20 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-20150210717-A1 SPECIFIC INHIBITORS OF PROTEIN P21 AS THERAPEUTIC AGENTS CDKN1A, ING2, BCCIP GAA 3655/4885CASP6 1933/4885SIRT1 870/4885

“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.