SCHEMBL91583

SCHEMBL91583

CCCCOc1ccccc1-c1cc(C(=O)OCC)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44

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
SCHEMBL1528353 0.85 KMT2A (0.57) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL29930960 0.85 KMT2A (0.57) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL69431 0.85 KMT2A (0.52) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL13282295 0.80 PTGDR2 (0.47) NPSR1PTGDR2CNR2KDM4EALDH1A1
SCHEMBL93106 0.80 KMT2A (0.53) KMT2ANPSR1L3MBTL1CYP1A2CYP2C9
SCHEMBL25411835 0.79 KMT2A (0.58) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL18304807 0.79 KMT2A (0.58) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL28493209 0.78 KMT2A (0.57) KMT2ANPSR1L3MBTL1POLBTP53
SCHEMBL6818280 0.77 CNR2 (0.66) THRBCYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL18304919 0.77 KMT2A (0.53) KMT2ANPSR1L3MBTL1POLBTP53

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-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 KMT2A 1352/4885NPSR1 3026/4885L3MBTL1 4379/4885

“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.