SCHEMBL2448849

SCHEMBL2448849

O=C(O)c1cc(Br)c(F)c(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 4/20 0.49
TSHR P16473 3/20 0.49
CNR2 P34972 2/20 0.49
CNR1 P21554 2/20 0.48
USP2 O75604 2/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL2448845 0.88 TDP1 (0.56) PKMKMT2AMEN1LMNATSHR
SCHEMBL3949541 0.81 CNR2 (0.66) PKMKMT2AMEN1LMNATSHR
SCHEMBL4717858 0.78 LMNA (0.70) PKMKMT2AMEN1LMNATSHR
SCHEMBL2450091 0.74 PKM (0.55) PKMKMT2AMEN1LMNACNR2
SCHEMBL4716079 0.74 TDP1 (0.76) PKMKMT2AMEN1LMNATSHR
SCHEMBL7659574 0.74 PKM (0.61) PKMKMT2ALMNATSHRCNR2
SCHEMBL7664954 0.74 PKM (0.61) PKMKMT2ALMNATSHRCNR2
SCHEMBL11181821 0.74 PKM (0.54) PKMKMT2AMEN1LMNATSHR
SCHEMBL4252422 0.73 SMN1; SMN2 (0.77) PKMKMT2ALMNACNR2CNR1
SCHEMBL14530332 0.73 PKM (0.60) PKMKMT2ALMNATSHRCNR2

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 PKM 908/4885KMT2A 167/4885MEN1 2441/4885

“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.