SCHEMBL1504504

SCHEMBL1504504

CC#CCOc1ccc(C(=O)Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.49
MMP9 P14780 12/20 0.49
MMP13 P45452 12/20 0.49
MMP1 P03956 12/20 0.49
MMP2 P08253 3/20 0.48
MMP14 P50281 2/20 0.48
MMP8 P22894 3/20 0.46
MMP7 P09237 2/20 0.46
ADAM10 O14672 1/20 0.46

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
SCHEMBL23425517 0.86 ADAM17 (0.50) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL1503527 0.84 PKM (0.53) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL17039268 0.84 L3MBTL1 (0.59) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL1503512 0.81 MAPT (0.64) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL15274643 0.81 ADAM17 (0.58) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL19543263 0.79 LMNA (0.56)
SCHEMBL9718528 0.79 CA12 (0.50)
SCHEMBL6661575 0.77 ALOX15 (0.55) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL275646 0.76 PARP10 (0.66)
SCHEMBL2895020 0.76 ADAM17 (0.50) ADAM17MMP9MMP13MMP1MMP2

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 7 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-8372885-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-02-12 US disclosed
EP-2477968-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL]BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS Galderma Research & Development (FR) 2012-07-25 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
US-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-05-13 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 (2 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-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 ADAM17 4444/4885MMP9 1150/4885MMP13 1316/4885
US-20120178934-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS CTSB, TPSAB1, PIGS ADAM17 6/4885MMP9 55/4885MMP13 103/4885

“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.