SCHEMBL161323

SCHEMBL161323

Cc1ccc(C(N)=O)c(C)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.61
PARP1 P09874 4/20 0.55
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
KDM4E B2RXH2 2/20 0.44
SIRT3 Q9NTG7 1/20 0.42

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 SCHEMBL2162841 0.98 NNMT (0.59) NNMTPARP1GABRPGABRDGABRA1
Trifluoroacetic Acid SCHEMBL31367107 0.88 NNMT (0.50) NNMTPARP1GABRPGABRDGABRA1
SCHEMBL14917429 0.81 PARP1 (0.53) NNMTPARP1GABRPGABRDGABRA1
SCHEMBL30174186 0.80 GABRP (0.64) NNMTGABRPGABRDGABRA1GABRB1
SCHEMBL181362 0.80 GABRP (0.64) NNMTGABRPGABRDGABRA1GABRB1
SCHEMBL1640178 0.80 SMN1; SMN2 (0.58) NNMTPARP1GABRPGABRDGABRA1
SCHEMBL8374129 0.79 PARP1 (0.51) NNMTPARP1GABRPGABRDGABRA1
SCHEMBL5190356 0.79 POLB (0.52) NNMTPARP1KDM4ESIRT3TDP1
SCHEMBL28141639 0.79 PARP1 (0.51) NNMTPARP1GABRPGABRDGABRA1
SCHEMBL3648999 0.79 NNMT (0.58) NNMTPARP1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4294804-A1 PYRIDONE COMPOUNDS AND METHODS OF USE Exelixis, Inc. (US) 2023-12-27 EP claimed
CN-115868501-A Metsulfuron methyl herbicide composition for alkaline soil and preparation method thereof 江苏瑞东农药有限公司 2023-03-31 CN claimed
CN-114940662-A Preparation method of nicosulfuron 湖北广富林生物制剂有限公司 2022-08-26 CN claimed
WO-2022178205-A1 PYRIDONE COMPOUNDS AND METHODS OF USE EXELIXIS, INC. (US) 2022-08-25 WO claimed
EP-4021893-A1 PERK INHIBITING COMPOUNDS Hibercell, Inc. (US) 2022-07-06 EP claimed
WO-2021041973-A1 PERK INHIBITING COMPOUNDS HIBERCELL, INC. (US) 2021-03-04 WO claimed
WO-2020070557-A1 MODIFIED THERAPEUTIC AGENT ANALOGS OF MEFENAMIC ACID Q BIOMED INC. (US) 2020-04-09 WO claimed
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed
EP-2685821-A1 NUCLEAR HORMONE RECEPTOR MODULATORS AbbVie Inc. (US) 2014-01-22 EP claimed
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF WITYAK JOHN (US) 2013-12-12 US claimed
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP claimed
EP-1984370-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Crystalgenomics, Inc. (KR) 2008-10-29 EP claimed
EP-1928245-A1 HERBICIDAL COMPOSITION ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-06-11 EP claimed
WO-2007083978-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CRYSTALGENOMICS, INC. (KR) 2007-07-26 WO claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
WO-2007037152-A1 HERBICIDAL COMPOSITION ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-04-05 WO claimed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 NNMT 1406/4885PARP1 4568/4885GABRP 2/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 NNMT 1406/4885PARP1 4568/4885GABRP 2/4885
US-20130331370-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA NNMT 65/4885PARP1 1089/4885GABRP 2041/4885

“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.