SCHEMBL71030

SCHEMBL71030

O=C(O)CNC(=O)c1cn(-c2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.54
EGLN1 Q9GZT9 11/20 0.50
KDM4C Q9H3R0 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MLLT3 P42568 1/20 0.43
MLLT1 Q03111 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.42
EGLN2 Q96KS0 1/20 0.42
FTO Q9C0B1 1/20 0.42

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
SCHEMBL19017752 0.80 USP30 (0.51) USP30KDM4CALDH1A1MLLT3MLLT1
SCHEMBL69486 0.77 KDM4E (0.55) USP30LMNA
SCHEMBL27894425 0.76 KDM4E (0.54) USP30LMNA
SCHEMBL27154633 0.75 USP30 (0.45) USP30MLLT3MLLT1
SCHEMBL27154632 0.75 USP30 (0.45) USP30MLLT3MLLT1
SCHEMBL24812338 0.74 KDM4E (0.45) USP30ALDH1A1MLLT3MLLT1
SCHEMBL1079993 0.74 ADA (0.50) USP30ALDH1A1MLLT3MLLT1
SCHEMBL27176310 0.74 SMN1; SMN2 (0.60) ALDH1A1LMNA
SCHEMBL71789 0.74 MEN1 (0.59) USP30ALDH1A1LMNA
SCHEMBL73126 0.73 RIPK1 (0.62) EGLN1KDM4CALDH1A1LMNA

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 5 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
CN-102036558-A Novel piperidine derivatives as stearoyl-CoA desaturase inhibitors FOREST LAB HOLDINGS LTD 2011-04-27 CN disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO 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 USP30 1476/4885EGLN1 448/4885KDM4C 357/4885

“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.