SCHEMBL1720103

SCHEMBL1720103

CCc1cccc(NC(N)=O)c1CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
KDM4E B2RXH2 1/20 0.49
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CLCN2 P51788 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL2018495 0.85 CLCN2 (0.47) GAAMAPTALDH1A1CLCN2HDAC3
SCHEMBL29580700 0.85 HTT (0.53) GAAMAPTALDH1A1CLCN2POLB
SCHEMBL15093896 0.85 HTT (0.53) GAAMAPTALDH1A1CLCN2POLB
SCHEMBL29581227 0.85 MAPT (0.62) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1953684 0.85 MAPT (0.62) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1840339 0.85 GAA (0.45) GAAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL15259641 0.84 ALDH1A1 (0.50) GAAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL8400920 0.84 GRIN2D (0.43) GAAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL3940043 0.84 MAPK1 (0.50) GAAKDM4EALDH1A1CLCN2POLB
SCHEMBL1955066 0.84 KIF11 (0.39) GAAKDM4EGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP disclosed
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
CN-111320562-B Method for producing isothiocyanate 旭化成株式会社 2022-08-16 CN disclosed
CN-111770972-B Silver nanowire ink and transparent conductive film 昭和电工株式会社 2022-07-01 CN disclosed
CN-109803992-B Isocyanate composition and method for producing isocyanate polymer 旭化成株式会社 2022-05-24 CN disclosed
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 US disclosed
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-09 US disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed
US-20100109304-A1 FIRING AGENT FOR GAS GENERATING DEVICE NOF CORPORATION (JP) 2010-05-06 US disclosed
EP-1606229-A4 BINDER MATRIX FOR GAS GENERANTS AND RELATED COMPOSITIONS AND METHODS AUTOLIV ASP INC (US) 2008-12-24 EP disclosed
US-20080217893-A1 Firing Agent for Gas Generating Device NOF CORPORATION (JP) 2008-09-11 US disclosed
EP-1785409-A1 FIRING AGENT FOR GAS GENERATING DEVICE NOF CORPORATION (JP) 2007-05-16 EP disclosed
EP-1606229-A2 BINDER MATRIX FOR GAS GENERANTS AND RELATED COMPOSITIONS AND METHODS Autoliv ASP, Inc. (US) 2005-12-21 EP disclosed
WO-2005009792-A2 BINDER MATRIX FOR GAS GENERANTS AND RELATED COMPOSITIONS AND METHODS AUTOLIV ASP, INC. (US) 2005-02-03 WO disclosed
US-6689236-B1 MIXTURES OF CELLULOSE ACETATES, DIMETHYL MALONATE, CYCLOGEN OR HEXOGEN FUELS AND N-METHYL-P-NITROANILINE STABILIZERS, FOR USE IN AUTOMOBILE PROTECTIVE DEVICES; AIR BAGS AUTOLIV ASP, INC. 2004-02-10 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 (4 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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B GAA 3432/4885KDM4E 297/4885GRIN2D 2664/4885
US-20110133121-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 GAA 2933/4885KDM4E 375/4885GRIN2D 3867/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH GAA 1299/4885KDM4E 232/4885GRIN2D 3460/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B GAA 3377/4885KDM4E 392/4885GRIN2D 2677/4885

“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.