SCHEMBL2815328

SCHEMBL2815328

CC(C#N)(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
CYP19A1 P11511 1/20 0.47
GRM1 Q13255 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL4447674 0.93 ALDH1A1 (0.42) ALDH1A1LMNACYP19A1GRM1MEN1
SCHEMBL13865451 0.84 ALDH1A1 (0.54) ALDH1A1LMNACYP19A1MEN1KMT2A
SCHEMBL28148370 0.84 HSPB1 (0.51) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL9242359 0.83 ALDH1A1 (0.52) ALDH1A1LMNACYP19A1MEN1KMT2A
SCHEMBL28455171 0.80 HSD17B10 (0.48) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL13176247 0.80 ALDH1A1 (0.58) ALDH1A1LMNACYP19A1MEN1KMT2A
SCHEMBL8961556 0.80 ALDH1A1 (0.58) ALDH1A1LMNACYP19A1MEN1KMT2A
SCHEMBL7110437 0.80 ALDH1A1 (0.58) ALDH1A1LMNACYP19A1MEN1KMT2A
SCHEMBL1021158 0.80 GRM1 (0.49) ALDH1A1GRM1KMT2AATMRAB9A
SCHEMBL395484 0.79 HSD17B10 (0.47) ALDH1A1LMNAMEN1KMT2AHPGD

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 12 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
US-7414048-B2 4,5-dihydro-isoxazole derivatives and their pharmaceutical use JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 US disclosed
EP-1119568-B1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA NV (BE) 2004-02-18 EP disclosed
US-20040019059-A1 4,5-Dihydro-isoxazole derivatives and their pharmaceutical use FREYNE EDDY JEAN EDGARD (BE) 2004-01-29 US disclosed
US-6583141-B1 T cell mediated rheumatic diseases JANSSEN PHARMACEUTICA, N.V. (BE) 2003-06-24 US disclosed
EP-1119568-A1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA N.V. (BE) 2001-08-01 EP disclosed
WO-2000021959-A1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-20 WO disclosed
US-5026897-A Chemically mask cholinesterase enzymes; antispasmotic agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1991-06-25 US disclosed
US-4973734-A ANTIDIOTE FOR ORGANOPPHOSPHATE POISONING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1990-11-27 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 (2 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-20040019059-A1 4,5-Dihydro-isoxazole derivatives and their pharmaceutical use CBR1, CYP2D6, HSD3B1 ALDH1A1 396/4885LMNA 1400/4885CYP19A1 806/4885
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG ALDH1A1 1769/4885LMNA 1819/4885CYP19A1 6/4885

“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.