SCHEMBL670906

SCHEMBL670906

c1ccc2cc(-c3nnn[nH]3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
CYP1A2 P05177 4/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IKBKB O14920 1/20 0.41
GSTP1 P09211 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CA12 O43570 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40

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
SCHEMBL5372735 0.84 MAPKAPK2 (0.48) MAPK8MAPK9MAPK10
SCHEMBL6775919 0.81 DHFR (0.42) NOTUMCYP1A2CYP11B1CYP11B2ALDH1A1
SCHEMBL12761303 0.78 NPC1 (0.61) CYP1A2ALDH1A1CYP2C19SMN1; SMN2MAPK10
SCHEMBL12761250 0.78 GP6 (0.37) ALDH1A1HPGDESR1SMN1; SMN2TSHR
SCHEMBL2028396 0.77 ADH5 (0.32)
SCHEMBL11937117 0.76 CYP1A2 (0.47) NOTUMCYP1A2CYP11B1CYP11B2ALDH1A1
SCHEMBL6505461 0.76 NR1H2 (0.41) CYP1A2ALDH1A1NISCH
SCHEMBL9941579 0.76 ESR1 (0.56) CYP1A2CYP11B1CYP11B2CYP2C9CYP2C19
SCHEMBL2217103 0.76 TOP2A (0.51) CYP1A2ALDH1A1NISCHCA12
SCHEMBL4950 0.76 NR1H2 (0.43) CYP1A2ALDH1A1NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4605247-A1 ELASTOMERIC COMPOSITIONS FOR TYRES COMPRISING NNEEWW CROSS-LINKING FUNCTIONALISING AGENTS, ELASTOMERIC COMPOUNDS AND TYRES COMPRISING THEM Pirelli Tyre S.p.A. (IT) 2025-08-27 EP disclosed
WO-2024084386-A9 ELASTOMERIC COMPOSITIONS FOR TYRES COMPRISING NNEEWW CROSS-LINKING FUNCTIONALISING AGENTS, ELASTOMERIC COMPOUNDS AND TYRES COMPRISING THEM PIRELLI TYRE S.P.A. (IT) 2025-06-12 WO disclosed
WO-2024084386-A1 ELASTOMERIC COMPOSITIONS FOR TYRES COMPRISING NNEEWW CROSS-LINKING FUNCTIONALISING AGENTS, ELASTOMERIC COMPOUNDS AND TYRES COMPRISING THEM PIRELLI TYRE S.P.A. (IT) 2024-04-25 WO disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-20130225819-A1 USE OF AZIDES IN SYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-29 US disclosed
US-20130225819-A1 USE OF AZIDES IN SYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-29 US disclosed
US-20130225819-A1 USE OF AZIDES IN SYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-29 US disclosed
WO-2012024495-A1 USE OF AZIDES IN SYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-23 WO disclosed
EP-1429763-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-06-23 EP disclosed
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer NOVO NORDISK A/S (DK) 2003-12-11 US disclosed
WO-2003027081-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2003-04-03 WO disclosed
US-5656401-A Electroluminescent device comprising oxadiazole compounds luminescent material, oxadiazole compounds for the device, and method of producing oxadiazole compounds RICOH COMPANY, LTD. (JP) 1997-08-12 US disclosed
US-5610309-A Electroluminescent device comprising oxadiazole compounds luminescent material, oxadiazole compounds for the device, and method of producing oxadiazole compounds RICOH COMPANY, LTD. (JP) 1997-03-11 US disclosed
US-5597925-A CYCLIZATION RICOH COMPANY, LTD. (JP) 1997-01-28 US disclosed
US-5420288-A Electron transporting material, planar displays RICOH COMPANY, LTD. (JP) 1995-05-30 US disclosed
EP-0332043-B1 Oxadiazole derivatives containing 4,6-bis-trichloromethyl-s-triazin-2-yl groups, process for their preparation and photosensitive mixture containing them HOECHST AG (DE) 1994-05-18 EP disclosed
US-5216158-A Oxadiazole compounds containing 4,6-bis-trichloromethyl-S-triazin-2-yl groups, process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
EP-0332043-A1 Oxadiazole derivatives containing 4,6-bis-trichloromethyl-s-triazin-2-yl groups, process for their preparation and photosensitive mixture containing them HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-13 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 (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-20130225819-A1 USE OF AZIDES IN SYNTHESIS ABL1, ABL2, TST NOTUM 2074/4885CYP1A2 351/4885CYP11B1 1884/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 NOTUM 2460/4885CYP1A2 4860/4885CYP11B1 3797/4885

“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.