Sugi Predict

Sugi Predict / Compounds / SCHEMBL70828

SCHEMBL70828

SCHEMBL70828

O=C(O)CNC(=O)c1cc(-c2ccccc2OCc2ccccc2)on1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.64
▸ ALDH1A1 P00352 7/20 0.64
▸ HSD17B10 Q99714 7/20 0.64
▸ KDM4E B2RXH2 6/20 0.64
▸ NPSR1 Q6W5P4 5/20 0.64
▸ MAPT P10636 6/20 0.61
▸ LMNA P02545 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ GAA P10253 2/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ THRB P10828 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ BRD4 O60885 1/20 0.59
▸ SMPD1 P17405 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ PTGER1 P34995 1/20 0.51
▸ PTGER4 P35408 1/20 0.51
▸ PTGER3 P43115 1/20 0.51

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
SCHEMBL70300 0.88 HPGD (0.59) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL71318 0.85 BRD4 (0.67) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL10273358 0.84 CNR2 (0.65) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL70310 0.82 IDO1 (0.47) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL72220 0.79 BRD4 (0.66) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL68819 0.79 SCD (0.53) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL1223259 0.78 SCD (0.47) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL19766828 0.78 HPGD (0.53) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL69435 0.78 SCD (0.45) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL19638166 0.77 HPGD (0.53) HPGDALDH1A1HSD17B10KDM4ENPSR1

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 6 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-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 — — US 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
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 HPGD 482/4885ALDH1A1 784/4885HSD17B10 101/4885

“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.