SCHEMBL2465484

SCHEMBL2465484

O=S(=O)(c1cccc(CBr)c1)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.56
ATM Q13315 1/20 0.56
TSHR P16473 2/20 0.56
RECQL P46063 1/20 0.56
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL27504978 0.87 L3MBTL1 (0.64) L3MBTL1LMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4636716 0.85 L3MBTL1 (0.63) L3MBTL1LMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL18584842 0.85 L3MBTL1 (0.63) L3MBTL1LMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL3325489 0.85 L3MBTL1 (0.67) L3MBTL1LMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL31728120 0.85 ALDH1A1 (0.61) L3MBTL1LMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL2326155 0.82 POLB (0.59) LMNASMN1; SMN2MAPK1TSHRHTT
SCHEMBL400508 0.81 POLB (0.67) L3MBTL1LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL31010278 0.81 TSHR (0.62) L3MBTL1LMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL100316 0.80 ALDH1A1 (0.62) LMNASMN1; SMN2NPSR1ALDH1A1TSHR
SCHEMBL2329034 0.80 LMNA (0.50) LMNASMN1; SMN2NPSR1ALDH1A1TSHR

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
CN-101212973-B 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility ORGANON NV 2011-11-16 CN disclosed
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
CN-101212973-A 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility ORGANON NV (NL) 2008-07-02 CN 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 L3MBTL1 3396/4885LMNA 4166/4885SMN1; SMN2 3960/4885

“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.