SCHEMBL2462874

SCHEMBL2462874

CCOc1cc(C=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.48
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP3A4 P08684 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
F2 P00734 1/20 0.43

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
SCHEMBL1414014 0.84 ALDH1A1 (0.53) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2512558 0.81 MAOB (0.47) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL1413931 0.80 MAPT (0.56) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2462189 0.80 ALDH1A1 (0.51) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL17131798 0.78 HTR1A (0.53) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2511877 0.78 LMNA (0.42) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2513277 0.78 ALDH1A1 (0.55) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL1414047 0.77 HSD17B10 (0.55) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL15936238 0.76 HTR1A (0.63) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2511985 0.75 MAOB (0.44) KMT2AMEN1LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022218-B2 Hypogonadism; N-{3-[2-Bromo-4-(3-cyano-2-methyl-5-oxo-7-propyl-1,4,5,6,7,8-hexahydro-quinolin-4-yl)-6-ethoxy-phenoxymethyl]-phenyl}-3,4,5-trimethoxy-benzamide; low molecular weight hormone mimetics; selective Follicle Stimulating Hormone receptor agonists N.V. ORGANON (NL) 2011-09-20 US disclosed
US-20080275042-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8-Hexahydroquinoline Derivatives for the Treatment of Infertility N.V. ORGANON (NL) 2008-11-06 US disclosed
EP-1881830-B1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY ORGANON NV (NL) 2008-10-08 EP disclosed
EP-1881830-A1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY N.V. Organon (NL) 2008-01-30 EP disclosed
WO-2006117368-A1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY N.V. ORGANON (NL) 2006-11-09 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-20080275042-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8-Hexahydroquinoline Derivatives for the Treatment of Infertility CATSPER1, ABCB11, ACR KMT2A 1161/4885MEN1 4388/4885LMNA 4166/4885

“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.