SCHEMBL71676

SCHEMBL71676

O=C(O)CNC(=O)c1cn(-c2cccnc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
EGLN1 Q9GZT9 4/20 0.47
MARS1 P56192 1/20 0.46
MIF P14174 3/20 0.46
EGLN2 Q96KS0 1/20 0.43
FTO Q9C0B1 1/20 0.43
KMT2A Q03164 1/20 0.42
ACKR3 P25106 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DDT P30046 1/20 0.41
GFER P55789 1/20 0.40

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
SCHEMBL73126 0.87 RIPK1 (0.62) RIPK1EGLN1MIFACKR3ALDH1A1
SCHEMBL71218 0.81 ESRRA (0.47) RIPK1MIFALDH1A1
SCHEMBL368478 0.81 DDT (0.47) RIPK1MIFKMT2AACKR3ALDH1A1
SCHEMBL27768446 0.80 ESRRA (0.51) MIF
SCHEMBL31162071 0.78 MIF (0.47) RIPK1MIFKMT2AALDH1A1NPSR1
SCHEMBL30398916 0.77 ESRRA (0.46) MIF
SCHEMBL12571597 0.76 CA12 (0.55) MIFALDH1A1
SCHEMBL13282380 0.75 POLB (0.39) RIPK1KMT2AALDH1A1DDT
SCHEMBL29385002 0.74 SCD (0.47) RIPK1
SCHEMBL70138 0.74 SCD (0.47) RIPK1

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 RIPK1 1678/4885EGLN1 448/4885MARS1 3734/4885

“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.