SCHEMBL962468

SCHEMBL962468

CCOC(=O)NC(NC(=O)OCC)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
MAPK1 P28482 2/20 0.63
GAA P10253 1/20 0.57
MMP8 P22894 1/20 0.53
ATM Q13315 1/20 0.52
CNR2 P34972 3/20 0.50
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
MDM4 O15151 1/20 0.49
MDM2 Q00987 1/20 0.49
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
CRHBP P24387 1/20 0.47
RAB9A P51151 1/20 0.47
CRHR2 Q13324 1/20 0.47
CNR1 P21554 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL13506014 0.86 LMNA (0.60) SMN1; SMN2MAPK1GAAMMP8ATM
SCHEMBL11697695 0.84 MMP8 (0.49) SMN1; SMN2MAPK1GAAMMP8ATM
SCHEMBL9371027 0.84 MEN1 (0.58) GAAMMP8ATMMAPTKMT2A
SCHEMBL13387483 0.83 SMN1; SMN2 (0.65) SMN1; SMN2MAPK1CNR2LMNANPC1
SCHEMBL24661545 0.83 SMN1; SMN2 (0.62) SMN1; SMN2MAPK1GAAMMP8ATM
SCHEMBL1200738 0.83 ATM (0.62) SMN1; SMN2MAPK1GAAMMP8ATM
SCHEMBL1890430 0.83 ALDH1A1 (0.50) SMN1; SMN2MAPK1CNR2LMNAHTT
SCHEMBL1200775 0.83 ATM (0.62) SMN1; SMN2MAPK1GAAMMP8ATM
SCHEMBL1200736 0.83 ATM (0.62) SMN1; SMN2MAPK1GAAMMP8ATM
SCHEMBL9359270 0.83 ATM (0.50) SMN1; SMN2MAPK1GAAMMP8ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846970-B2 Metal carbamates formed from tolylenediamines BASF SE (DE) 2014-09-30 US claimed
US-20130231495-A1 METAL CARBAMATES FORMED FROM TOLYLENEDIAMINES BASF SE (DE) 2013-09-05 US claimed
EP-2265573-B1 METAL CARBAMATES COMPOSED OF TOLYLENEDIAMINES BASF SE (DE) 2011-10-12 EP claimed
US-20110004012-A1 METAL CARBAMATES FORMED FROM TOLYLENEDIAMINES BASF SE (DE) 2011-01-06 US claimed
EP-0520273-A2 Process for the preparation of bis(ethoxycarbonylamino) toluols and their use in the preparation of diisocyanato toluols BAYER AG (DE) 1992-12-30 EP claimed
JP-5201953-A None JP disclosed
CN-103492364-A Method for manufacturing tolylene diisocyanate MITSU CHEMICALS INC 2014-01-01 CN disclosed
US-20090082588-A1 Process for producing fluorinated carbamates and isocyanates REPSOL YPF, S.A. (ES) 2009-03-26 US disclosed
EP-2036884-A1 Process for producing fluorinated isocyanates and carbamates REPSOL YPF S.A. (ES) 2009-03-18 EP disclosed
US-5646328-A Process for removing by-products from diurethanes BAYER AKTIENGESELLSCHAFT (DE) 1997-07-08 US disclosed
JP-H05201953-A PRODUCTION OF BIS-(ETHOXYCARBONYL-AMINO)-TOLUENE AND PROCESS FOR PRODUCING DIISOCYANATETOLUENE THEREFROM BAYER AG 1993-08-10 JP disclosed
EP-0520273-A2 Process for the preparation of bis(ethoxycarbonylamino) toluols and their use in the preparation of diisocyanato toluols BAYER AG (DE) 1992-12-30 EP disclosed
EP-0520273-A2 Process for the preparation of bis(ethoxycarbonylamino) toluols and their use in the preparation of diisocyanato toluols BAYER AG (DE) 1992-12-30 EP disclosed
EP-0027952-A1 Process for preparing N,O-disubstituted urethanes BAYER AG (DE) 1981-05-06 EP 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-20090082588-A1 Process for producing fluorinated carbamates and isocyanates SRM, CA4, PRMT3 SMN1; SMN2 2866/4885MAPK1 2014/4885GAA 2784/4885
US-20130231495-A1 METAL CARBAMATES FORMED FROM TOLYLENEDIAMINES CHRM1, CARM1, TCP1 SMN1; SMN2 3161/4885MAPK1 2882/4885GAA 1943/4885
US-20110004012-A1 METAL CARBAMATES FORMED FROM TOLYLENEDIAMINES CHRM1, CARM1, TCP1 SMN1; SMN2 3161/4885MAPK1 2882/4885GAA 1943/4885

“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.