SCHEMBL2816593

SCHEMBL2816593

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
PDE7A Q13946 4/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
VCAM1 P19320 1/20 0.41
HSD11B1 P28845 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2817984 1.00 HSD17B10 (0.51) HSD17B10KMT2AALDH1A1LMNAMEN1
SCHEMBL2813658 0.88 HSD17B10 (0.51) HSD17B10KMT2AALDH1A1LMNAMEN1
SCHEMBL4440258 0.88 HSD17B10 (0.51) HSD17B10KMT2AALDH1A1LMNAMEN1
SCHEMBL4641866 0.82 HSD17B10 (0.60) HSD17B10KMT2AALDH1A1LMNAMEN1
SCHEMBL2815063 0.81 ALDH1A1 (0.45) KMT2AALDH1A1LMNAPDE7ACYP3A4
SCHEMBL27775732 0.80 HSD17B10 (0.58) HSD17B10KMT2AALDH1A1LMNAMEN1
SCHEMBL26633331 0.78 HSD17B10 (0.51) HSD17B10KMT2AALDH1A1LMNAMEN1
SCHEMBL6558638 0.78 HSD17B10 (0.55) HSD17B10KMT2AALDH1A1LMNAMEN1
SCHEMBL2816962 0.77 RAB9A (0.53) HSD17B10KMT2AALDH1A1LMNAMEN1
SCHEMBL2817983 0.77 KMT2A (0.56) HSD17B10KMT2AALDH1A1LMNATDP1

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 HSD17B10 3064/4885KMT2A 1767/4885ALDH1A1 1769/4885

“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.