SCHEMBL4259344

SCHEMBL4259344

CN(C)c1ccncc1.N#CBr

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.73
CHKA P35790 1/20 0.73
MAPT P10636 7/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALOX15 P16050 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CASP1 P29466 1/20 0.50
HBB P68871 1/20 0.50
ALDH1A1 P00352 9/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 4/20 0.39
GFER P55789 1/20 0.39
MPO P05164 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
Bromide SCHEMBL4259349 0.91 CHRM5 (0.73) CHRM5CHKAMAPTSMN1; SMN2MEN1
Acetonitrile SCHEMBL27605904 0.88 CHRM5 (0.76) CHRM5CHKAMAPTSMN1; SMN2MEN1
Water SCHEMBL27487876 0.88 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2MEN1
Water SCHEMBL19285054 0.88 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2MEN1
Water SCHEMBL27463458 0.88 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2MEN1
Water SCHEMBL29850461 0.88 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2MEN1
SCHEMBL320245 0.88 CHRM5 (0.94) CHRM5CHKAMAPTSMN1; SMN2MEN1
Fluoride SCHEMBL17966130 0.85 CHRM5 (0.89) CHRM5CHKAMAPTSMN1; SMN2MEN1
SCHEMBL8664726 0.85 CHRM5 (1.00) CHRM5CHKAMAPTSMN1; SMN2MEN1
SCHEMBL189 0.85

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220558-A1 Methods of Treating Hormone-Related Conditions Using Thio-Oxindole Derivatives WYETH LLC (US) 2012-08-30 US disclosed
US-8242098-B2 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH LLC (US) 2012-08-14 US disclosed
US-20090099223-A1 METHODS OF TREATING HORMONE-RELATED CONDITIONS USING THIO-OXINDOLE DERIVATIVES WYETH (US) 2009-04-16 US disclosed
US-7488734-B2 Methods of treating hormone-related conditions using thio-oxindole derivatives WYETH (US) 2009-02-10 US disclosed
US-7115649-B2 Methods of treating skin disorders using thio-oxindole derivatives WYETH (US) 2006-10-03 US disclosed
US-7091234-B2 Thio-oxindole derivatives WYETH (US) 2006-08-15 US disclosed
EP-1515680-A4 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF SKIN DISORDERS WYETH CORP (US) 2005-09-21 EP disclosed
EP-1531806-A4 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH CORP (US) 2005-09-21 EP disclosed
US-6946454-B2 Thio-oxindole derivatives WYETH (US) 2005-09-20 US disclosed
US-20050171186-A1 3-(1',2'-Dihydro-2'-thioxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)benzonitrile; 5'-(5-Cyano-1-methyl-1H-pyrrol-2-yl)spiro[cyclohexane-1,3'-[3H]indol]-2'-ylidenecyanamide; progesterone receptor agonist; mixture with estrone (estrogen); hormone replacement therapy, contraception; anticarcinogenic WYETH (US) 2005-08-04 US disclosed
WO-2004000227-A2 USE OF THIO-OXINDOLE DERIVATIVES IN TREATMENT OF SKIN DISORDERS WYETH (US) 2003-12-31 WO disclosed
US-20030225109-A1 Thio-oxindole derivatives WYETH (US) 2003-12-04 US disclosed
US-6583145-B1 Thio-oxindole derivatives WYETH 2003-06-24 US disclosed
US-6521657-B2 Indole derivatives which are agonists of the progesterone receptor and useful for treatment of carcinoma and adenocarcinomas of uterine leiomyomata, endometriosis or polycystic ovary syndorme in a mammal WYETH 2003-02-18 US disclosed
US-20020169198-A1 Thio-oxindole derivatives WYETH (US) 2002-11-14 US disclosed
US-20020103248-A1 Thio-oxindole derivatives WYETH LLC 2002-08-01 US disclosed
CN-1349499-A Thio-oxindole derivatives AMERICAN HOME PROD (US) 2002-05-15 CN disclosed
US-6355648-B1 COMPOUNDS AS CONTRACEPTIVES AND PROGESTERONE ANTAGONIST AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed
EP-1181275-A1 THIO-OXINDOLE DERIVATIVES American Home Products Corporation (US) 2002-02-27 EP disclosed
WO-2000066555-A1 THIO-OXINDOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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 (6 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-20120220558-A1 Methods of Treating Hormone-Related Conditions Using Thio-Oxindole Derivatives OXTR, GNRHR, SHBG CHRM5 245/4885CHKA 4759/4885MAPT 2066/4885
US-20020103248-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 CHRM5 305/4885CHKA 4533/4885MAPT 3849/4885
US-20030225109-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 CHRM5 318/4885CHKA 4519/4885MAPT 4187/4885
US-20050171186-A1 3-(1',2'-Dihydro-2'-thioxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)benzonitrile; 5'-(5-Cyano-1-methyl-1H-pyrrol-2-yl)spiro[cyclohexane-1,3'-[3H]indol]-2'-ylidenecyanamide; progesterone receptor agonist; mixture with estrone (estrogen); hormone replacement therapy, contraception; anticarcinogenic PGR, ESR1, PGRMC1 CHRM5 188/4885CHKA 2970/4885MAPT 4568/4885
US-20020169198-A1 Thio-oxindole derivatives GPER1, PGR, ESR1 CHRM5 288/4885CHKA 4275/4885MAPT 3685/4885
US-20090099223-A1 METHODS OF TREATING HORMONE-RELATED CONDITIONS USING THIO-OXINDOLE DERIVATIVES OXTR, GNRHR, SHBG CHRM5 245/4885CHKA 4759/4885MAPT 2066/4885

“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.