SCHEMBL1504711

SCHEMBL1504711

ICCN(CCI)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ OPRM1 P35372 2/20 0.47
▸ OPRD1 P41143 2/20 0.47
▸ OPRK1 P41145 2/20 0.47
▸ TSHR P16473 2/20 0.46
▸ CNR2 P34972 1/20 0.44
▸ AOC3 Q16853 1/20 0.43
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ PRMT8 Q9NR22 1/20 0.42
▸ CALM1 P0DP23 1/20 0.41
▸ CAMKK2 Q96RR4 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41

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
SCHEMBL6419591 0.95 ALDH1A1 (0.50) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL18768472 0.87 MAOB (0.53) ALDH1A1OPRM1TSHRCNR2HRH3
SCHEMBL9329761 0.82 HTT (0.53) ALDH1A1OPRM1OPRD1OPRK1TSHR
SCHEMBL4081568 0.79 HTT (0.55) ALDH1A1OPRM1OPRD1OPRK1TSHR
SCHEMBL134524 0.79 TSHR (0.60) ALDH1A1OPRM1OPRD1OPRK1TSHR
SCHEMBL14047033 0.78 OPRK1 (0.69) ALDH1A1OPRM1OPRD1OPRK1TSHR
SCHEMBL373667 0.78 OPRM1 (0.48) ALDH1A1ALOX15HSD17B10OPRM1OPRD1
SCHEMBL537951 0.78 TDP1 (0.50) ALDH1A1OPRM1OPRD1OPRK1TSHR
SCHEMBL19326604 0.77 HTT (0.53) ALDH1A1OPRM1OPRD1OPRK1TSHR
SCHEMBL12049793 0.76 CNR2 (0.64) ALDH1A1OPRM1OPRD1OPRK1TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115102-B2 N-[2-hydroxycarbamoyl-2-(piperazinyl) ethyl] benzamide compounds, their preparation and their use as TACE inhibitors GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-08-25 — — US disclosed
EP-2477968-B1 N-[2-HYDROXYCARBAMOYL-2-(PIPERAZINYL)ETHYL]BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS GALDERMA RES & DEV (FR) 2013-10-23 — — EP disclosed
US-20120178934-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-07-12 — — US disclosed
WO-2011033009-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 — — WO disclosed
EP-0018830-B1 SPIROBENZOFURANONES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Chemical Industries, Ltd. (JP) 1983-06-08 — — EP disclosed
EP-0003084-B1 SPIROBENZOFURANONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICINES Takeda Chemical Industries, Ltd. (JP) 1982-02-24 — — EP disclosed
US-4284644-A Spirobenzofuranone compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-08-18 — — US disclosed
EP-0018830-A2 Spirobenzofuranones, their production and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-11-12 — — EP disclosed
EP-0003084-A1 Spirobenzofuranone compounds, processes for their preparation and their use as medicines Takeda Chemical Industries, Ltd. (JP) 1979-07-25 — — EP 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-20120178934-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS CTSB, TPSAB1, PIGS ALDH1A1 591/4885HPGD 395/4885ALOX15 1216/4885

“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.

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