SCHEMBL8744682

SCHEMBL8744682

Cc1nn(C)c(C)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
GRK5 P34947 1/20 0.32
LIMK1 P53667 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL25067090 0.81 KDM4E (0.37) KDM4EGAAALDH1A1ADORA2AADORA2B
SCHEMBL12138138 0.78 ADORA2A (0.32) ADORA2AADORA2B
SCHEMBL19592950 0.78 KDM4E (0.35) KDM4EGAAALDH1A1LMNASMN1; SMN2
SCHEMBL19491725 0.78 KDM4E (0.35) KDM4EGAAALDH1A1LMNASMN1; SMN2
SCHEMBL21721506 0.76 ADORA2A (0.31) ADORA2AADORA2B
SCHEMBL21718618 0.76
SCHEMBL22140243 0.76 MEN1 (0.33) LMNATSHRMAPK1
SCHEMBL21720329 0.76
SCHEMBL23400267 0.76 MEN1 (0.30)
SCHEMBL21721711 0.76 GAA (0.31) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION ARTUS THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION ARTUS THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-11834433-B2 Compounds INFLAZOME LIMITED (IE) 2023-12-05 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-11773058-B2 Sulfonamide carboxamide compounds INFLAZOME LIMITED (IE) 2023-10-03 US disclosed
US-20230301300-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-09-28 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-20090099239-A1 Antiviral Compounds and Methods BIOTRON LIMITED (AU) 2009-04-16 US disclosed
US-20090099239-A1 Antiviral Compounds and Methods BIOTRON LIMITED (AU) 2009-04-16 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 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 (13 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 KDM4E 1065/4885GAA 773/4885ALDH1A1 383/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 KDM4E 3386/4885GAA 4866/4885ALDH1A1 2674/4885
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 KDM4E 2261/4885GAA 1747/4885ALDH1A1 1722/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A KDM4E 167/4885GAA 1393/4885ALDH1A1 2786/4885
US-11773058-B2 Sulfonamide carboxamide compounds NLRP3, NOD1, NLRP1 KDM4E 2420/4885GAA 4244/4885ALDH1A1 1414/4885
US-20090099239-A1 Antiviral Compounds and Methods MAVS, ZC3HAV1, EIF2AK2 KDM4E 2925/4885GAA 115/4885ALDH1A1 3086/4885
US-20230301300-A1 HERBICIDAL COMPOSITIONS GMDS, DDT, AADAC KDM4E 568/4885GAA 687/4885ALDH1A1 431/4885
US-11834433-B2 Compounds NLRP3, NOD1, PYCARD KDM4E 1949/4885GAA 967/4885ALDH1A1 378/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 KDM4E 843/4885GAA 264/4885ALDH1A1 804/4885
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 PDE12, PDE5A, PDE10A KDM4E 1377/4885GAA 871/4885ALDH1A1 409/4885
US-20240239809-A1 THERAPEUTIC AGENTS FOR ENHANCING EPITHELIAL AND/OR ENDOTHELIAL BARRIER FUNCTION LIPG, FABP2, EPCAM KDM4E 4414/4885GAA 1537/4885ALDH1A1 2351/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 KDM4E 1066/4885GAA 291/4885ALDH1A1 2140/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KDM4E 2437/4885GAA 94/4885ALDH1A1 312/4885

“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.