SCHEMBL10276683

SCHEMBL10276683

O=C(NCC(C(=O)O)N1CCN(Cc2ccccc2)CC1)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.54
ADAM17 P78536 2/20 0.54
HDAC4 P56524 4/20 0.54
HDAC1 Q13547 4/20 0.54
KCNH2 Q12809 2/20 0.54
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 1/20 0.50
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL10276681 1.00 CHRM4 (0.54) CHRM4ADAM17HDAC4HDAC1KCNH2
SCHEMBL10476107 0.85 CHRM4 (0.53) CHRM4HDAC4HDAC1KCNH2CA12
SCHEMBL10475888 0.81 ADAM17 (0.51) ADAM17
SCHEMBL10475831 0.81 ADAM17 (0.51) ADAM17
SCHEMBL10276320 0.81 ADAM17 (0.57) ADAM17HDAC4HDAC1ALDH1A1SMN1; SMN2
SCHEMBL10276327 0.81 ADAM17 (0.57) ADAM17HDAC4HDAC1ALDH1A1SMN1; SMN2
SCHEMBL995448 0.80 ADAM17 (0.56) ADAM17HDAC4HDAC1CA12CA2
SCHEMBL995449 0.80 ADAM17 (0.56) ADAM17HDAC4HDAC1CA12CA2
SCHEMBL10475931 0.79 ADAM17 (0.53) ADAM17SMN1; SMN2KMT2A
SCHEMBL10475932 0.79 ADAM17 (0.53) ADAM17SMN1; SMN2KMT2A

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 4 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
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

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 CHRM4 4837/4885ADAM17 6/4885HDAC4 223/4885

“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.