SCHEMBL8019241

SCHEMBL8019241

CC(C)C(=O)c1cn[nH]c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.43
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ACACB O00763 7/20 0.39
KDM4E B2RXH2 1/20 0.38
DBH P09172 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.37
APEX1 P27695 1/20 0.37
PMP22 Q01453 1/20 0.37
MME P08473 1/20 0.35
TGFBR1 P36897 1/20 0.35
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
ACACA Q13085 1/20 0.33
CFTR P13569 1/20 0.33

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
SCHEMBL13306666 0.84 NOS2 (0.41) NOS2ALDH1A1HTTACACBKCNH2
SCHEMBL5160895 0.82 NOS2 (0.40) NOS2ALDH1A1HTTACACBKCNH2
SCHEMBL5158390 0.80 NOS2 (0.38) NOS2ALDH1A1HTTACACBKCNH2
SCHEMBL12323324 0.79 ALDH1A1 (0.51) NOS2ALDH1A1HTTACACBKDM4E
SCHEMBL659350 0.78 ACACB (0.50) NOS2ACACBMMEROCK2ROCK1
SCHEMBL19100007 0.76 CA12 (0.48) NOS2ALDH1A1HTTACACBKDM4E
SCHEMBL5162792 0.76 NOS2 (0.38) NOS2ALDH1A1HTTACACBKDM4E
SCHEMBL1641505 0.76
SCHEMBL27535758 0.75 ALDH1A1 (0.53) NOS2ALDH1A1HTTACACBKCNH2
SCHEMBL23480570 0.75 TDP1 (0.51) NOS2ALDH1A1HTTACACBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 US disclosed
US-20230014173-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2023-01-19 US disclosed
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
US-7414056-B2 Pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-19 US disclosed
US-7390810-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 US disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 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-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 NOS2 4068/4885ALDH1A1 1847/4885HTT 908/4885
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC NOS2 1738/4885ALDH1A1 923/4885HTT 4441/4885
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH NOS2 1530/4885ALDH1A1 3393/4885HTT 4559/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 NOS2 4844/4885ALDH1A1 3827/4885HTT 847/4885
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease MAPK1, MAPK3, TNF NOS2 195/4885ALDH1A1 4289/4885HTT 3903/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 NOS2 2334/4885ALDH1A1 1236/4885HTT 4242/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH NOS2 1069/4885ALDH1A1 3105/4885HTT 3478/4885
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH NOS2 970/4885ALDH1A1 4405/4885HTT 3973/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC NOS2 1885/4885ALDH1A1 1344/4885HTT 3761/4885
US-20230014173-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 NOS2 1333/4885ALDH1A1 1869/4885HTT 3111/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP NOS2 1260/4885ALDH1A1 1229/4885HTT 3595/4885

“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.