SCHEMBL10277096

SCHEMBL10277096

CC(C)(C)OC(=O)C(N)C(C(=O)O)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
CACNA1G O43497 1/20 0.46
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
NPY2R P49146 1/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL10276800 0.90 ATM (0.49) MEN1KMT2AATMPOLBRAB9A
SCHEMBL1504923 0.83 POLB (0.49) MEN1KMT2AATMCACNA1GPOLB
Hydrochloric Acid SCHEMBL1504762 0.82 MEN1 (0.55) MEN1KMT2AATMPOLBRAB9A
SCHEMBL10277097 0.77 MEN1 (0.45) MEN1KMT2AATMCACNA1GPOLB
SCHEMBL995912 0.77 NPY2R (0.48) MEN1KMT2AATMCACNA1GPOLB
SCHEMBL995911 0.77 NPY2R (0.48) MEN1KMT2AATMCACNA1GPOLB
SCHEMBL2902092 0.75 KDM1A (0.55)
SCHEMBL1504924 0.74 NPY2R (0.45) MEN1KMT2AATMCACNA1GPOLB
Acetaldehyde SCHEMBL1504926 0.74 MEN1 (0.42) MEN1KMT2AATMCACNA1GPOLB
SCHEMBL1519830 0.73 CTSS (0.46) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 3381/4885KMT2A 1626/4885ATM 2399/4885

“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.