SCHEMBL2443663

SCHEMBL2443663

CC(C)Oc1cc(C=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HTR2A P28223 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
NTSR1 P30989 1/20 0.41
LMNA P02545 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 5/20 0.39

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
SCHEMBL2447904 0.81 CA12 (0.45) MAPTSMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL7433658 0.79 MAPT (0.59) MAPTSMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL2462874 0.75 KMT2A (0.51) MAPTSMN1; SMN2NPSR1LMNAALDH1A1
SCHEMBL22291222 0.74 NPC1 (0.54) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6297373 0.71 MAPT (0.74) MAPTSMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL3961650 0.70 APP (0.59) MAPTSMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL18272220 0.69 IDO1 (0.53) MAPTSMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL3629871 0.68 NPC1 (0.59) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9947562 0.68 MAPT (0.54) MAPTSMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL2944913 0.68 CA12 (0.62) MAPTSMN1; SMN2RAB9ANPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017782-B2 hypogonadism and male infertility; ovulation induction N.V. ORGANON (NL) 2011-09-13 US disclosed
CN-101212971-B 4-phenyl-5-0x0-l,4,5,6,7,8-hexahydr0quin0line derivatives as medicaments for the treatment of infertility ORGANON NV 2010-12-08 CN disclosed
US-20080262033-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8- Hexahydroquinoline Derivatives as Medicaments for the Treatment of Infertility MERCK SHARP & DOHME B.V. (NL) 2008-10-23 US disclosed
EP-1879581-B1 4-PHENYL-5-0X0-l,4,5,6,7,8-HEXAHYDR0QËIN0LINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY ORGANON NV (NL) 2008-09-03 EP disclosed
CN-101212971-A 4-phenyl-5-0x0-l,4,5,6,7,8-hexahydr0quin0line derivatives as medicaments for the treatment of infertility ORGANON NV (NL) 2008-07-02 CN disclosed
EP-1879581-A1 4-PHENYL-5-0X0-l,4,5,6,7,8-HEXAHYDR0QËIN0LINE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF INFERTILITY N.V. Organon (NL) 2008-01-23 EP disclosed
WO-2006117371-A1 4-PHENYL-5-0X0-l,4,5,6,7,8-HEXAHYDR0QËIN0LINE DERIVATIVES AS MEDICAMENTS FOR 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-20080262033-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8- Hexahydroquinoline Derivatives as Medicaments for the Treatment of Infertility KCNQ5, SRD5A1, KCNQ1 MAPT 4204/4885SMN1; SMN2 3805/4885NPC1 1247/4885

“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.