SCHEMBL5513086

SCHEMBL5513086

CCc1ccc(C(C)C)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
PPARG P37231 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
PANK3 Q9H999 2/20 0.37
CYP2A6 P11509 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL868550 0.85 KDM4E (0.46) KDM4EL3MBTL1ESR1ESR2PPARG
SCHEMBL12810160 0.84 METAP2 (0.40) L3MBTL1ESR1ESR2NPC1RAB9A
SCHEMBL5515445 0.83 SMN1; SMN2 (0.41) KDM4EL3MBTL1ESR1ESR2NPC1
SCHEMBL23570309 0.83 KDM4E (0.41) KDM4EL3MBTL1ESR1ESR2PPARG
SCHEMBL23396073 0.83 KDM4E (0.41) KDM4EL3MBTL1ESR1ESR2PPARG
SCHEMBL14621143 0.81 ESR1 (0.41) ESR1ESR2NPC1RAB9APANK3
SCHEMBL29989028 0.81 ESR1 (0.44) KDM4EESR1ESR2HRH3NPC1
SCHEMBL12020745 0.81 ESR1 (0.44) ESR1ESR2PANK3
SCHEMBL4047877 0.81 ESR1 (0.41) ESR1ESR2NPC1RAB9APANK3
SCHEMBL14116463 0.81 KDM4E (0.42) KDM4EL3MBTL1ESR1ESR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 EP disclosed
US-11834440-B2 Beta-lactam derivatives for the treatment of diseases INSILICO MEDICINE IP LIMITED (HK) 2023-12-05 US disclosed
US-20230365553-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-11-16 US disclosed
WO-2023220134-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
WO-2023220137-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
US-11795196-B2 Mitochondria-targeting peptides STEALTH BIOTHERAPEUTICS INC. (US) 2023-10-24 US disclosed
US-7915253-B2 4-[2,6-Dimethyl-4-(4-trifluoromethoxy-phenyl)-piperazine-1-sulfonyl]-indan-2-carboxylic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury KALYPSYS, INC (US) 2011-03-29 US disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 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-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (11 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KDM4E 1618/4885L3MBTL1 2178/4885ESR1 1088/4885
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE H1-2, HDAC1, H1-0 KDM4E 650/4885L3MBTL1 556/4885ESR1 2388/4885
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 2261/4885L3MBTL1 1436/4885ESR1 2061/4885
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL KDM4E 3521/4885L3MBTL1 781/4885ESR1 3002/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KDM4E 1618/4885L3MBTL1 2178/4885ESR1 1088/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KDM4E 4337/4885L3MBTL1 3800/4885ESR1 2200/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 KDM4E 1522/4885L3MBTL1 3878/4885ESR1 210/4885
US-11834440-B2 Beta-lactam derivatives for the treatment of diseases QPCT, QPCTL, BCAT1 KDM4E 4462/4885L3MBTL1 206/4885ESR1 4164/4885
US-11795196-B2 Mitochondria-targeting peptides HSPE1, TFAM, TNNI3 KDM4E 4819/4885L3MBTL1 1122/4885ESR1 4432/4885
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS MERTK, DAPK1, AXL KDM4E 3521/4885L3MBTL1 781/4885ESR1 3002/4885
US-20230365553-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 KDM4E 3761/4885L3MBTL1 2331/4885ESR1 1106/4885

“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.