SCHEMBL2448845

SCHEMBL2448845

O=C(O)c1cc(Br)c(F)c(S(=O)(=O)N2CCCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 2/20 0.52
MAPT P10636 4/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 1/20 0.48
IL1RN P18510 1/20 0.47
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 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
SCHEMBL2448849 0.88 PKM (0.61) SMN1; SMN2MAPK1MAPTTP53HSD17B10
SCHEMBL11185044 0.78 MAPK1 (0.77) TDP1SMN1; SMN2MAPK1MAPTTP53
SCHEMBL5623047 0.78 MAPK1 (0.77) TDP1SMN1; SMN2MAPK1MAPTTP53
SCHEMBL22499518 0.77 TDP1 (0.71) TDP1SMN1; SMN2MAPTTP53IL1RN
SCHEMBL4251116 0.75 TDP1 (0.69) TDP1SMN1; SMN2MAPTTP53IL1RN
SCHEMBL3854379 0.75 TTR (0.46) KMT2APKM
SCHEMBL2446550 0.75 TTR (0.46) SMN1; SMN2PKM
SCHEMBL2443131 0.72 CNR2 (0.47) TDP1SMN1; SMN2MAPK1MAPTTP53
SCHEMBL4847370 0.72 TTR (0.62) TDP1SMN1; SMN2MAPK1MAPTTP53
SCHEMBL11711932 0.72 TDP1 (1.00) TDP1SMN1; SMN2TP53LMNAKMT2A

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 TDP1 545/4885SMN1; SMN2 3805/4885MAPK1 695/4885

“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.