Sugi Predict

Sugi Predict / Compounds / SCHEMBL3523663

SCHEMBL3523663

SCHEMBL3523663

O=C1Nc2ccccc2C12CCCC2B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ APOBEC3A P31941 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PLK4 O00444 3/20 0.39
▸ AURKB Q96GD4 3/20 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
SCHEMBL3524191 0.79 ALDH1A1 (0.48) MEN1KMT2AALDH1A1GSK3BIDO1
SCHEMBL4892684 0.74 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GSK3BIDO1
SCHEMBL3524780 0.72 OPRM1 (0.47) MEN1KMT2AALDH1A1IDO1APOBEC3A
SCHEMBL10836894 0.72 OPRM1 (0.39) MEN1KMT2AALDH1A1GSK3BIDO1
SCHEMBL11642156 0.71 OPRM1 (0.43) MEN1KMT2AALDH1A1GSK3BIDO1
SCHEMBL23861798 0.69 OPRM1 (0.47) MEN1KMT2AALDH1A1GSK3BHTT
SCHEMBL4778699 0.68 GSK3B (0.55) MEN1KMT2AALDH1A1GSK3BIDO1
SCHEMBL2573765 0.68 GSK3B (0.59) MEN1KMT2AALDH1A1GSK3BIDO1
SCHEMBL19216470 0.68 GSK3B (0.59) MEN1KMT2AALDH1A1GSK3BIDO1
SCHEMBL30548926 0.68 GSK3B (0.59) MEN1KMT2AALDH1A1GSK3BIDO1

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-7645761-B2 Indoline derivatives WYETH (US) 2010-01-12 — — US disclosed
US-20070259944-A1 Indoline derivatives WYETH (US) 2007-11-08 — — US disclosed
US-7253203-B2 Indoline derivatives WYETH (US) 2007-08-07 — — US disclosed
EP-1175398-B1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS WYETH CORP (US) 2007-07-11 — — EP disclosed
US-7091234-B2 Thio-oxindole derivatives WYETH (US) 2006-08-15 — — US disclosed
US-7084168-B2 Indoline derivatives WYETH (US) 2006-08-01 — — US disclosed
US-20060160882-A1 Indoline derivatives WYETH (US) 2006-07-20 — — US 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
US-20050054711-A1 Thio-oxindole derivatives WYETH 2005-03-10 — — US disclosed
US-20020169198-A1 Thio-oxindole derivatives WYETH (US) 2002-11-14 — — US disclosed
US-6462032-B1 Cyclic regimens utilizing indoline derivatives WYETH 2002-10-08 — — US disclosed
US-20020103248-A1 Thio-oxindole derivatives WYETH LLC 2002-08-01 — — US disclosed
US-20020086874-A1 Indoline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-04 — — US disclosed
US-6391907-B1 ANTICANCER AGENTS; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 — — US disclosed
US-6355648-B1 COMPOUNDS AS CONTRACEPTIVES AND PROGESTERONE ANTAGONIST AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 — — US disclosed
EP-1175398-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS American Home Products Corporation (US) 2002-01-30 — — EP disclosed
EP-1173212-A1 CONTRACEPTIVE COMPOSITIONS CONTANING INDOLONE DERIVATIVES AND PROGESTATIONAL AGENTS American Home Products Corporation (US) 2002-01-23 — — EP disclosed
WO-2000066167-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING INDOLINE DERIVATIVES AND PROGESTATIONAL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 — — WO disclosed
WO-2000066556-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS 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 (7 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-20070259944-A1 Indoline derivatives PGR, GNRHR, PRLHR MEN1 205/4885KMT2A 1721/4885ALDH1A1 1415/4885
US-20020103248-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 MEN1 2145/4885KMT2A 2842/4885ALDH1A1 840/4885
US-20020086874-A1 Indoline derivatives PGR, GNRHR, PRLHR MEN1 218/4885KMT2A 1817/4885ALDH1A1 1588/4885
US-20060160882-A1 Indoline derivatives PGR, GNRHR, PRLHR MEN1 205/4885KMT2A 1721/4885ALDH1A1 1415/4885
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 MEN1 1328/4885KMT2A 2094/4885ALDH1A1 395/4885
US-20020169198-A1 Thio-oxindole derivatives GPER1, PGR, ESR1 MEN1 1768/4885KMT2A 2599/4885ALDH1A1 373/4885
US-20050054711-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 MEN1 2389/4885KMT2A 3017/4885ALDH1A1 1126/4885

“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.