SCHEMBL957752

SCHEMBL957752

CC[C@H](N=C=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.67
NOS3 P29474 1/20 0.49
NOS2 P35228 1/20 0.49
LMNA P02545 3/20 0.42
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TRPA1 O75762 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL727626 1.00 MIF (0.67) MIFNOS3NOS2LMNACYP2C19
SCHEMBL6970517 1.00 MIF (0.67) MIFNOS3NOS2LMNACYP2C19
SCHEMBL9227592 0.90 MIF (0.52) MIFNOS3NOS2LMNACYP2C19
SCHEMBL111009 0.86 MIF (0.50) MIFNOS3NOS2LMNAGABRA1
SCHEMBL6744506 0.85 MIF (0.49) MIFNOS3NOS2LMNACYP2C19
SCHEMBL9467887 0.84 MIF (0.49) MIFNOS3NOS2LMNACYP2C19
SCHEMBL4640624 0.83 MIF (0.46) MIFNOS3NOS2LMNACYP2C19
SCHEMBL23527635 0.82 MIF (0.46) MIFNOS3NOS2LMNACYP2C19
SCHEMBL21259586 0.82 MIF (0.46) MIFNOS3NOS2LMNACYP2C19
SCHEMBL330826 0.82 MIF (0.44) MIFNOS3NOS2LMNAGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108970-A Diamide derivatives and pharmaceutical application thereof 四川大学华西医院 2022-09-27 CN disclosed
CN-107849816-B Method for treating paperboard and paper media and related treated paperboard and paper media 巴斯夫欧洲公司 2021-07-09 CN disclosed
CN-106232667-B Polyiso-ureas 巴斯夫欧洲公司 2020-01-07 CN disclosed
US-20180298557-A1 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED TREATED PAPERBOARDS AND PAPER MEDIA BASF CORPORATION 2018-10-18 US disclosed
EP-3107946-B1 A POLYISO-UREA BASF SE (DE) 2018-08-08 EP disclosed
US-9982083-B2 Polyiso-urea BASF SE (DE) 2018-05-29 US disclosed
EP-3298194-A2 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED PAPERBOARDS AND PAPER MEDIA BASF SE (DE) 2018-03-28 EP disclosed
US-20170058075-A1 POLYISO-UREA BASF SE (DE) 2017-03-02 US disclosed
US-20170058074-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2017-03-02 US disclosed
EP-3107946-A1 A POLYISO-UREA BASF SE (DE) 2016-12-28 EP disclosed
WO-2010063774-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-10 WO disclosed
EP-2185542-A2 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-05-19 EP disclosed
WO-2010010150-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
US-20090270355-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
WO-2009077741-A2 3-SUBSTITUTED-4-OXO-3,4-DIHYDRO-IMIDAZO-[5,1-D][1,2,3,5-TETRAZINE-8-CARBOXYLIC ACID AMIDES AND THEIR USE PHARMINOX LIMITED (GB) 2009-06-25 WO disclosed
WO-2009047336-A1 PHTHALAZINE AND PYRIDO [3,4-D] PYRIDAZ INE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-04-16 WO disclosed
WO-2009021965-A2 SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-02-19 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2009017671-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 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 (2 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-20080194549-A1 Organic Compounds REN, ACE, OTC MIF 3090/4885NOS3 181/4885NOS2 827/4885
US-20090270355-A1 Compounds CMA1, HRH4, CCL11 MIF 1605/4885NOS3 483/4885NOS2 665/4885

“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.