SCHEMBL1839015

SCHEMBL1839015

CN(C(N)=O)c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.65
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
ALOX5 P09917 1/20 0.44
NCEH1 Q6PIU2 1/20 0.41

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
SCHEMBL3626830 0.83 SIGMAR1 (0.67) SIGMAR1KDM4EGAA
SCHEMBL29666490 0.83 SIGMAR1 (0.67) SIGMAR1GAA
SCHEMBL1614544 0.83 SIGMAR1 (0.67) SIGMAR1GAA
SCHEMBL5923592 0.82 SIGMAR1 (0.56) SIGMAR1KDM4EGAANCEH1
SCHEMBL27559476 0.81 SIGMAR1 (0.65) SIGMAR1
SCHEMBL11872011 0.81 SIGMAR1 (0.65) SIGMAR1GAANCEH1
SCHEMBL8150820 0.81 SIGMAR1 (0.65) SIGMAR1KDM4EGAA
SCHEMBL10943508 0.81 SIGMAR1 (0.65) SIGMAR1GAA
SCHEMBL28259034 0.81 SIGMAR1 (0.65) SIGMAR1GAANCEH1
SCHEMBL9547530 0.81 SIGMAR1 (0.51) SIGMAR1KDM4EGAAALOX5

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59039810-A None JP disclosed
EP-2679575-B1 PROCESS FOR PRODUCING CARBONYL COMPOUNDS ASAHI CHEMICAL IND (JP) 2019-04-10 EP disclosed
EP-2322504-B9 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 CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-2322504-B1 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 CHEMICAL IND (JP) 2016-09-28 EP disclosed
US-9249090-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-02 US disclosed
US-8957241-B2 Method for producing carbonyl compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-17 US disclosed
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-05 US disclosed
US-8884047-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-11 US disclosed
US-20130178645-A1 Method for Producing Carbonyl Compund ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-07-11 US 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
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
CN-100422161-C Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMA CO (JP) 2008-10-01 CN disclosed
CN-1656084-A Hydroxymorpholone derivative and medical application thereof SENJU PHARMA CO (JP) 2005-08-17 CN disclosed
US-4741981-A Photosensitive material for electrophotography contains organic phosphite compounds RICOH CO., LTD. (JP) 1988-05-03 US disclosed
JP-S5939810-A PREPARATION OF LIQUID COMPOUND PESTICIDE TOAGOSEI CHEM IND CO LTD 1984-03-05 JP disclosed
JP-S05939810-A 0001-01-01 JP 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 (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-20130178645-A1 Method for Producing Carbonyl Compund CA6, CPS1, C9 SIGMAR1 1736/4885KDM4E 2081/4885GAA 2792/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH SIGMAR1 2888/4885KDM4E 232/4885GAA 1299/4885
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH SIGMAR1 2888/4885KDM4E 232/4885GAA 1299/4885

“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.