SCHEMBL505813

SCHEMBL505813

COC(=O)c1cc(OC)cc(N)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
POLB P06746 2/20 0.53
GAA P10253 8/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 8/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 5/20 0.47
MAPT P10636 3/20 0.47
GLA P06280 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
CFTR P13569 3/20 0.47
ABL1 P00519 1/20 0.46
F2 P00734 1/20 0.46
ALOX15 P16050 2/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL1116202 0.98 KDM4E (0.51) KDM4EPOLBGAACYP1A2CYP2D6
SCHEMBL28475063 0.84 KDM4E (0.51) KDM4EPOLBGAACYP1A2CYP2D6
SCHEMBL13280597 0.84 KDM4E (0.51) KDM4EPOLBGAACYP1A2CYP2D6
SCHEMBL11156433 0.84 KDM4E (0.60) KDM4EPOLBGAACYP1A2CYP2D6
SCHEMBL24104384 0.84 GAA (0.56) KDM4EPOLBGAACYP1A2CYP2D6
SCHEMBL25213358 0.84 KDM4E (0.51) KDM4EPOLBGAACYP1A2CYP2D6
SCHEMBL1005468 0.84 HPGD (0.53) KDM4EPOLBGAACYP1A2CYP2D6
SCHEMBL1734942 0.84 KDM4E (0.51) KDM4EPOLBGAACYP1A2CYP2D6
SCHEMBL536121 0.83 SMN1; SMN2 (0.46) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL1559038 0.82 KDM4E (0.50) KDM4EPOLBGAACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246108-A1 Method for Producing Alpha-Azidoaniline Derivative or Alpha,AlphaPrime-Diazide Derivative TOKUYAMA CORPORATION (JP) 2021-08-12 US disclosed
EP-3816151-A1 METHOD FOR PRODUCING ?-AZIDOANILINE DERIVATIVE OR ?, ?'-DIAZIDE DERIVATIVE Tokuyama Corporation (JP) 2021-05-05 EP disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
CN-104030987-A DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA 2014-09-10 CN disclosed
CN-102574786-A Dihydroorotate dehydrogenase inhibitors MERCK SERONO SA 2012-07-11 CN disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
EP-2281819-A1 Benzimidazolyl or benzoxazolyl derivatives Novartis AG (CH) 2011-02-09 EP disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
US-20090298824-A1 Organic compounds PRESS NEIL J 2009-12-03 US disclosed
EP-1709015-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2006-10-11 EP disclosed
WO-2005070906-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-08-04 WO 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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD KDM4E 806/4885POLB 517/4885GAA 318/4885
US-20210246108-A1 Method for Producing Alpha-Azidoaniline Derivative or Alpha,AlphaPrime-Diazide Derivative QDPR, AZI2, NISCH KDM4E 4043/4885POLB 843/4885GAA 785/4885
US-20090298824-A1 Organic compounds CXCR2, CXCR3, CXCR1 KDM4E 4128/4885POLB 3284/4885GAA 4124/4885

“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.