SCHEMBL2816962

SCHEMBL2816962

CC(=O)NCC(C)(C)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
GLA P06280 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
SCHEMBL2815331 0.84 ALDH1A1 (0.46) RAB9AKMT2AMAPTMEN1GAA
SCHEMBL2817651 0.78 NR1H4 (0.44) KMT2AMAPTMEN1RECQLHSD17B10
SCHEMBL2817984 0.77 HSD17B10 (0.51) RAB9AKMT2AMAPTMEN1HSD17B10
SCHEMBL2816593 0.77 HSD17B10 (0.51) RAB9AKMT2AMAPTMEN1HSD17B10
SCHEMBL2817666 0.76 GSK3B (0.48) RAB9AKMT2AMAPTMEN1GAA
SCHEMBL2818020 0.76 CYP19A1 (0.45) RAB9AKMT2AMAPTMEN1GAA
SCHEMBL2815321 0.75 KDM4E (0.43) RAB9AMAPTHSD17B10ALDH1A1POLB
SCHEMBL4641866 0.75 HSD17B10 (0.60) KMT2AMEN1HSD17B10ALDH1A1LMNA
SCHEMBL29749675 0.75 HSD17B10 (0.51) RAB9AKMT2AMAPTMEN1GAA
SCHEMBL26633331 0.75 HSD17B10 (0.51) RAB9AKMT2AMAPTMEN1GAA

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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG RAB9A 1404/4885KMT2A 1767/4885MAPT 4813/4885

“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.