SCHEMBL278463

SCHEMBL278463

CC(C)NC1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ATM Q13315 1/20 0.42
EPHX1 P07099 7/20 0.39
KDM4E B2RXH2 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP3A4 P08684 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL19966112 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL104545 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL19705361 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL22369902 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL7776775 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL18844888 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL23319701 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10GAAL3MBTL1ATM
Hydrochloric Acid SCHEMBL2863718 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10GAAL3MBTL1ATM
Fluoride SCHEMBL7235974 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10GAAL3MBTL1ATM
SCHEMBL1440206 0.97 ALDH1A1 (0.45) ALDH1A1HSD17B10GAAL3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
WO-2023209084-A1 CONDENSED BICYCLIC HETEROAROMATIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-11-02 WO disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 US disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-05-16 US disclosed
WO-2023072966-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-05-04 WO disclosed
EP-4173675-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 Perha Pharmaceuticals (FR) 2023-05-03 EP disclosed
EP-4173674-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 Perha Pharmaceuticals (FR) 2023-05-03 EP disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7169784-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7163943-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-16 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2004-05-20 US disclosed
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2004-05-20 US disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP disclosed
US-4714698-A ANTITUMOR, ANTICOAGULANT DR. KARL THOMAE GMBH (DE) 1987-12-22 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-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS ALDH1A1 4407/4885HSD17B10 1873/4885GAA 852/4885
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones IL17A, CYP51A1, CD4 ALDH1A1 224/4885HSD17B10 274/4885GAA 1885/4885
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT TTK, TTBK1, TTBK2 ALDH1A1 3055/4885HSD17B10 967/4885GAA 1599/4885
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 ALDH1A1 386/4885HSD17B10 840/4885GAA 1090/4885
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 ALDH1A1 2547/4885HSD17B10 4368/4885GAA 3183/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 ALDH1A1 319/4885HSD17B10 900/4885GAA 920/4885
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 CLK1, CLK2, CLK3 ALDH1A1 2647/4885HSD17B10 1474/4885GAA 4095/4885

“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.