Sugi Predict

Sugi Predict / Compounds / SCHEMBL3891069

SCHEMBL3891069

SCHEMBL3891069

Oc1cccc(SCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.50
▸ MAOB P27338 3/20 0.50
▸ IDO1 P14902 1/20 0.49
▸ DAO P14920 1/20 0.49
▸ SLC6A4 P31645 1/20 0.45
▸ OPRK1 P41145 2/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41

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
SCHEMBL3901203 0.81 CYP3A4 (0.52) MAOAMAOBDAOSLC6A4CYP3A4
SCHEMBL3902642 0.81 MAOA (0.50) MAOAMAOBDAOSLC6A4ENPP2
SCHEMBL332623 0.79 MAOA (0.63) MAOAMAOBDAOSLC6A4CYP3A4
SCHEMBL19973146 0.78 MAOA (0.51) MAOAMAOBDAOSLC6A4CYP3A4
SCHEMBL3890487 0.78 TDP1 (0.52) MAOAMAOBIDO1DAOSLC6A4
SCHEMBL7598339 0.78 MEN1 (0.53) MAOAMAOBIDO1DAOSLC6A4
SCHEMBL338116 0.78 MAOA (0.58) MAOAMAOBIDO1DAOSLC6A4
SCHEMBL19786022 0.77 IDO1 (0.38) MAOAMAOBIDO1DAOOPRK1
SCHEMBL26192998 0.77 CYP3A4 (0.50) ENPP2CYP3A4HSD17B10DRD2DRD1
SCHEMBL31441986 0.77 MAOB (0.52) MAOAMAOBDAOSLC6A4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110386887-A A kind of preparation method of 3- benzylthio phenol intermediate 南京格亚医药科技有限公司 2019-10-29 — — CN claimed
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 — — US disclosed
CN-110386887-A A kind of preparation method of 3- benzylthio phenol intermediate 南京格亚医药科技有限公司 2019-10-29 — — CN disclosed
CN-110386887-A A kind of preparation method of 3- benzylthio phenol intermediate 南京格亚医药科技有限公司 2019-10-29 — — CN disclosed
CN-110386887-A A kind of preparation method of 3- benzylthio phenol intermediate 南京格亚医药科技有限公司 2019-10-29 — — CN disclosed
CN-104277051-B 4 aminothiophenes simultaneously [3,2 C] carboxylic acid derivates of pyridine 7 霍夫曼-拉罗奇有限公司 2017-06-09 — — CN disclosed
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 — — EP disclosed
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 — — EP disclosed
CN-101263145-B 4-amino-thieno [3,2-C ] pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE 2015-02-25 — — CN disclosed
CN-104277051-A 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE 2015-01-14 — — CN disclosed
CN-101263145-A 4-amino-thieno [3, 2-C ] pyridine-7-carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 2008-09-10 — — CN disclosed
EP-1926737-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 — — EP disclosed
EP-1812386-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2007-08-01 — — EP disclosed
WO-2007031428-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 — — WO disclosed
WO-2007031428-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 — — WO disclosed
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BARTKOVITZ DAVID J 2007-03-15 — — US disclosed
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BARTKOVITZ DAVID J 2007-03-15 — — US disclosed
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BARTKOVITZ DAVID J 2007-03-15 — — US disclosed
WO-2006043797-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS KANG HEONJOONG (KR) 2006-04-27 — — WO disclosed
CN-1034923-A New sulfo-imido acid and amidine insecticides ICI AMERICA INC (US) 1989-08-23 — — CN 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 (2 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 MAOA 3800/4885MAOB 3869/4885IDO1 4315/4885
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BRAF, RAF1, MAP3K7 MAOA 1449/4885MAOB 1364/4885IDO1 3462/4885

“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.