SCHEMBL1756086

SCHEMBL1756086

O=C1CCOc2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
BRD4 O60885 2/20 0.49
CREBBP Q92793 2/20 0.49
MAPT P10636 1/20 0.47
ALOX5 P09917 1/20 0.43
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
AHR P35869 1/20 0.42
PDK2 Q15119 1/20 0.42
PARP1 P09874 2/20 0.41
NR3C2 P08235 1/20 0.39
LMNA P02545 2/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
SMN1; SMN2 Q16637 2/20 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
Hydrochloric Acid SCHEMBL30986688 0.98 NPC1 (0.48) NPC1MAPK13MAPK12MAPK11MAPK14
Bicarbonate SCHEMBL30250535 0.90 GAA (0.45) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL15964648 0.89 MAPT (0.53) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL15479700 0.80 SMN1; SMN2 (0.48) BRD4CREBBPALOX5ITGB2ICAM1
SCHEMBL88746 0.80 MMP12 (0.58) NPC1MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL30293243 0.78 MMP12 (0.56) NPC1MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL6518631 0.78 MMP12 (0.56) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11442210 0.77 ALOX5 (0.48) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL24720317 0.75 CMA1 (0.45) BRD4MAPTAHRLMNAHTT
SCHEMBL3485856 0.75 FABP6 (0.43) MAPTNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11564930-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS, INC. (US) 2023-01-31 US claimed
EP-1021190-B1 Amid derivatives as growth hormone release promotors KAKEN PHARMA CO LTD (JP) 2006-11-08 EP claimed
EP-1021190-A4 NOVEL AMIDE DERIVATIVES KAKEN PHARMA CO LTD (JP) 2004-08-18 EP claimed
EP-1021190-A1 NOVEL AMIDE DERIVATIVES Kaken Pharmaceutical Co., Ltd. (JP) 2000-07-26 EP claimed
WO-1999009991-A1 NOVEL AMIDE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 1999-03-04 WO claimed
US-12281101-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2025-04-22 US disclosed
WO-2024163956-A2 SIGMA RECEPTOR LIGAND COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-08 WO disclosed
WO-2024140401-A1 HETEROCYCLIC COMPOUND ACTING AS KINASE INHIBITOR, AND COMPOSITION COMPRISING SAME 捷思英达控股有限公司 2024-07-04 WO disclosed
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. (US) 2023-10-12 US disclosed
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. (US) 2023-10-12 US disclosed
US-11691953-B2 Compound as PPAR agonist and application thereof USA Elixiria Biotech Inc. 2023-07-04 US disclosed
WO-2023020486-A1 RIP1 KINASE INHIBITOR COMPOUND AND COMPOSITION AND USE THEREOF 广州市恒诺康医药科技有限公司 2023-02-23 WO disclosed
WO-2004080969-A1 QUINOLINONE / BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO disclosed
US-20040186092-A1 Quinolinone derivaties and uses thereof ROCHE PALO ALTO LLC 2004-09-23 US disclosed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 US disclosed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US disclosed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP disclosed
EP-0154969-A2 Piperazine derivatives and their acid addition salts MITSUBISHI KASEI CORPORATION (JP) 1985-09-18 EP disclosed
US-4477464-A Hetero-benzazepine derivatives and their pharmaceutical use CIBA-GEIGY CORPORATION (US) 1984-10-16 US 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-20040186092-A1 Quinolinone derivaties and uses thereof NQO2, UGT1A8, UGT1A1 NPC1 1939/4885MAPK13 4535/4885MAPK12 4562/4885
US-11691953-B2 Compound as PPAR agonist and application thereof PPARA, PPARG, PPARD NPC1 785/4885MAPK13 2045/4885MAPK12 1233/4885
US-12281101-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 NPC1 541/4885MAPK13 4732/4885MAPK12 4665/4885
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 NPC1 936/4885MAPK13 1382/4885MAPK12 2847/4885
US-20040092512-A1 Substituted benzoxazinones and uses thereof CYP4X1, CYP3A5, CYP2D6 NPC1 1463/4885MAPK13 4549/4885MAPK12 3639/4885
US-11564930-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 NPC1 976/4885MAPK13 656/4885MAPK12 897/4885
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD NPC1 785/4885MAPK13 2045/4885MAPK12 1233/4885

“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.