SCHEMBL10276320

SCHEMBL10276320

COCCOCOc1ccc(C(=O)NC[C@@H](C(=O)O)N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.57
CYP2D6 P10635 4/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
MCHR2 Q969V1 1/20 0.46
MCHR1 Q99705 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL10276327 1.00 ADAM17 (0.57) ADAM17CYP2D6MAPTL3MBTL1ALDH1A1
SCHEMBL1505035 0.89 CYP2D6 (0.48) ADAM17CYP2D6MAPTL3MBTL1ALDH1A1
SCHEMBL1505034 0.89 CYP2D6 (0.48) ADAM17CYP2D6MAPTL3MBTL1ALDH1A1
SCHEMBL10476319 0.88 ADAM17 (0.48) ADAM17CYP2D6MAPTL3MBTL1ALDH1A1
SCHEMBL10476316 0.88 ADAM17 (0.48) ADAM17CYP2D6MAPTL3MBTL1ALDH1A1
SCHEMBL10475842 0.85 ADAM17 (0.55) ADAM17MAPTALDH1A1KDM4E
SCHEMBL10475882 0.85 ADAM17 (0.55) ADAM17MAPTALDH1A1KDM4E
SCHEMBL10275887 0.84 ADAM17 (0.44) ADAM17ALDH1A1
SCHEMBL10275880 0.84 ADAM17 (0.44) ADAM17ALDH1A1
SCHEMBL10475894 0.84 ADAM17 (0.53) ADAM17MAPTALDH1A1TSHRKMT2A

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 3 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

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 ADAM17 6/4885CYP2D6 979/4885MAPT 3645/4885

“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.