SCHEMBL840292

SCHEMBL840292

CCCc1cc(N)c(CCC)c(CCC)c1N

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.33
AR P10275 1/20 0.33
IKBKB O14920 1/20 0.33
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
HMGCR P04035 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12971340 0.88 NOS2 (0.35) NOS2ARIKBKBALDH1A1CYP1A2
SCHEMBL5490266 0.84 NOS2 (0.34) NOS2ARNOS3NOS1HMGCR
SCHEMBL3804549 0.84 NOS2 (0.36) NOS2ARIKBKBALDH1A1NOS3
SCHEMBL9690320 0.83 NOS2 (0.33) NOS2ARALDH1A1NOS3NOS1
SCHEMBL2317715 0.79 NOS2 (0.35) NOS2IKBKBALDH1A1NOS3NOS1
SCHEMBL3802566 0.78 HTT (0.39) NOS2ARIKBKBALDH1A1NOS3
SCHEMBL3801329 0.77 KDM4E (0.39) NOS2ARIKBKBALDH1A1NOS3
SCHEMBL27468200 0.77 NOS3 (0.32) NOS2ARIKBKBNOS3NOS1
SCHEMBL3799895 0.77 NOS2 (0.40) NOS2IKBKBALDH1A1CYP1A2ALOX15
SCHEMBL19972018 0.77 NOS2 (0.32) NOS2IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260319-A1 HYBRID NOVOLAC POLYUREA/POLYURETHANE PPG INDUSTRIES OHIO, INC. 2017-09-14 US disclosed
WO-2013009372-A1 PHOSPHORUS-CONTAINING SECONDARY AMINE COMPOUNDS HUNTSMAN PETROCHEMICAL LLC (US) 2013-01-17 WO disclosed
US-8212078-B2 Making chain extenders with slower cure rates; reacting a ketone and/or aldehyde with a primary amine in the presence of an acidic ion exchange resin and hydrogenation agent; making diimine same way but excluding hydrogenation agent; e.g. N,N'-di-5-nonyl-isophoronediamine ALBEMARLE CORPORATION (US) 2012-07-03 US disclosed
US-8143365-B2 Formulations for reaction injection molding and for spray systems ALBEMARLE CORPORATION (US) 2012-03-27 US disclosed
US-8080626-B2 Chain extenders ALBEMARLE CORPORATION (US) 2011-12-20 US disclosed
US-7964695-B2 Chain extenders ALBEMARLE CORPORATION (US) 2011-06-21 US disclosed
US-20110137005-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2011-06-09 US disclosed
WO-2010101560-A1 BIS[(ALKYLAMINO)ALKYL]AMINES ALBEMARLE CORPORATION (US) 2010-09-10 WO disclosed
US-7767858-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2010-08-03 US disclosed
US-20100160592-A1 Formulations For Reaction Injection Molding And For Spray Systems ALBEMARLE CORPORATION (US) 2010-06-24 US disclosed
WO-2008112636-A1 CHAIN EXTENDERS ALBEMARLE CORPORATION (US) 2008-09-18 WO disclosed
US-20080194788-A1 Diimines and Secondary Diamines ALBEMARLE CORPORATION (US) 2008-08-14 US disclosed
WO-2008086437-A1 FORMULATIONS FOR REACTION INJECTION MOLDING AND FOR SPRAY SYSTEMS ALBEMARLE CORPORATION (US) 2008-07-17 WO disclosed
WO-2008039571-A1 DIAMINE CHAIN EXTENDER COMPOSITIONS ALBEMARLE CORPORATION (US) 2008-04-03 WO disclosed
WO-2008039715-A1 CHAIN EXTENDERS ALBEMARLE CORPORATION (US) 2008-04-03 WO disclosed
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-02-07 US disclosed
US-20080004406-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-01-03 US disclosed
US-20070270566-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2007-11-22 US disclosed
US-7288677-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2007-10-30 US disclosed
US-20060217567-A1 Diimines and secondary diamines ALBEMARLE CORPORATION 2006-09-28 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 (5 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-20080004406-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 NOS2 366/4885AR 1890/4885IKBKB 1874/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 NOS2 1696/4885AR 761/4885IKBKB 2253/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 NOS2 366/4885AR 1890/4885IKBKB 1874/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 NOS2 586/4885AR 1669/4885IKBKB 1603/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 NOS2 366/4885AR 1890/4885IKBKB 1874/4885

“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.