SCHEMBL2816709

SCHEMBL2816709

CC(=O)NCCC(C)(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GLA P06280 1/20 0.56
NPC1 O15118 2/20 0.50
MAPT P10636 5/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 2/20 0.45
RECQL P46063 1/20 0.45
NQO2 P16083 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TAAR1 Q96RJ0 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
SCHEMBL14347853 0.80 RAB9A (0.45) ALDH1A1SMN1; SMN2NPC1MAPTKMT2A
SCHEMBL2816302 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GLANPC1MAPT
SCHEMBL2817408 0.78 ESRRG (0.46) ALDH1A1SMN1; SMN2NPC1MAPTLMNA
SCHEMBL2813687 0.78 LOXL2 (0.48) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL22540967 0.76 ALDH1A1 (0.47) ALDH1A1NPC1MAPTPOLBKDM4E
SCHEMBL30962634 0.76 TSHR (0.46) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL396136 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GLANPC1MAPT
SCHEMBL6959797 0.75 KDM4E (0.62) ALDH1A1SMN1; SMN2GLANPC1MAPT
SCHEMBL9969486 0.75 MAPT (0.62) ALDH1A1SMN1; SMN2NPC1MAPTKMT2A
SCHEMBL428785 0.74 ALDH1A1 (0.49) ALDH1A1MAPTPOLBKDM4ERECQL

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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN 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 ALDH1A1 1769/4885SMN1; SMN2 4686/4885GLA 2359/4885

“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.