SCHEMBL4559345

SCHEMBL4559345

c1ccc(-c2cnsn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 4/20 0.42
IDO1 P14902 1/20 0.40
METAP2 P50579 1/20 0.40
KEAP1 Q14145 1/20 0.40
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 3/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TDO2 P48775 1/20 0.38
HPGD P15428 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKT1 P31749 1/20 0.37

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
SCHEMBL19900526 0.87
SCHEMBL5931858 0.79 CYP2A6 (0.54) RAB9AMETAP2ALDH1A1NPC1SMN1; SMN2
SCHEMBL29102302 0.77 RAB9A (0.42) KMT2ARAB9AMEN1ALDH1A1NPC1
SCHEMBL1019858 0.77 METAP2 (0.44) KMT2ARAB9AMEN1METAP2ALDH1A1
SCHEMBL3173313 0.77 KMT2A (0.44) KMT2ARAB9AMEN1METAP2ALDH1A1
SCHEMBL4017134 0.77 METAP2 (0.44) METAP2
SCHEMBL3140312 0.77
SCHEMBL9324607 0.77 METAP2 (0.44) KMT2ARAB9AMEN1METAP2KEAP1
SCHEMBL2728342 0.77 IDO1 (0.51) KMT2AMEN1IDO1ALDH1A1GABRG2
SCHEMBL2727083 0.76 IDO1 (0.50) KMT2ARAB9AMEN1IDO1METAP2

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
CN-111303204-B Two-dimensional metal organic complex containing thiazole functional group and preparation method and application thereof 沈阳师范大学 2022-09-23 CN disclosed
EP-3774737-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Blade Therapeutics, Inc. (US) 2021-02-17 EP disclosed
CN-111303204-A Two-dimensional metal organic complex containing thiazole functional group and preparation method and application thereof 沈阳师范大学 2020-06-19 CN disclosed
WO-2019190885-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2019-10-03 WO disclosed
CN-105916858-A Fused imidazolyl derivatives, their preparation and use as medicaments 埃斯特韦博士实验室股份公司 2016-08-31 CN disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
US-7632851-B2 Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers NOVARTIS AG (CH) 2009-12-15 US disclosed
WO-2009089502-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-16 WO disclosed
WO-2008134679-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2008-11-06 WO disclosed
WO-1996031876-A1 LIQUID CRYSTAL OPTICAL STORAGE MEDIUM WITH GRAY SCALE ALLIANT TECHSYSTEMS INC. (US) 1996-10-10 WO disclosed
US-4810282-A 3-ORTHO-(ISOXAZOLYL,ISOTHIAZOLYL, PYRAZOLYL,THIADIAZOLYL, OXADIAZOLYL AND TRIAZOLYL BENZENESULFONUREYLENE-1,2,4-TRIAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed
US-4695311-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-22 US disclosed
US-4606755-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-19 US disclosed
US-4514214-A Herbicidal sulfamates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed
US-4511392-A N--/PYRIMIDIN-2-YLAMINOCARBENYL/-HETERO-SUBSTITUETED BENZENSESULFO E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 US disclosed
US-4475944-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-09 US disclosed
EP-0096593-A2 Herbicidal sulfamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-21 EP disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP 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-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 KMT2A 3374/4885RAB9A 1134/4885MEN1 1510/4885

“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.