SCHEMBL10119196

SCHEMBL10119196

CC/C=N/c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.48
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 6/20 0.46
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38
PLAU P00749 1/20 0.38
PTGS2 P35354 4/20 0.38

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
SCHEMBL11982401 1.00 CYP2C9 (0.48) CYP2C9CYP2D6ALDH1A1LMNAKDM4E
SCHEMBL10432489 0.90 CYP2C9 (0.40) CYP2C9CYP2D6ALDH1A1LMNAKDM4E
SCHEMBL23829635 0.79 S100B (0.56) CYP2C9CYP2D6ALDH1A1LMNAKDM4E
SCHEMBL9293163 0.79 TDP1 (0.44) CYP2C9CYP2D6ALDH1A1KDM4ENOS3
SCHEMBL7120357 0.78 ALDH1A1 (0.44) CYP2C9ALDH1A1KDM4ENOS3NOS1
SCHEMBL1116030 0.78 ALDH1A1 (0.44) CYP2C9ALDH1A1KDM4ENOS3NOS1
SCHEMBL10378413 0.78 ALDH1A1 (0.44) CYP2C9ALDH1A1KDM4ENOS3NOS1
SCHEMBL9870273 0.77 CYP2C9 (0.46) CYP2C9CYP2D6ALDH1A1LMNAKDM4E
SCHEMBL12534124 0.76 S100B (0.49) ALDH1A1NOS3NOS1NOS2ACHE
SCHEMBL7763844 0.76 S100B (0.49) ALDH1A1NOS3NOS1NOS2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378340-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20120238765-A1 AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-20 US disclosed
US-20120091449-A1 ORGANIC ELECTROLUMINESCENT ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 US disclosed
US-20110227050-A1 METAL COMPLEX AND ORGANIC ELETROLUMINESCENT DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-22 US disclosed
US-8012603-B2 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-06 US disclosed
US-20110114185-A1 PHOTOELECTRIC CONVERSION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-19 US disclosed
US-20100219399-A1 BLOCK COPOLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-02 US disclosed
US-20100171100-A1 POLYMERIC MATERIAL AND POLYMERIC LUMINESCENT ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-08 US disclosed
US-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-06-12 US disclosed
US-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED 2008-05-01 US disclosed
US-20070103059-A1 Composition and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-10 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 (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-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME CRY1, ARCN1, CORO1A CYP2C9 2975/4885CYP2D6 3166/4885ALDH1A1 272/4885
US-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties BRS3, SLC43A1, MRPS23 CYP2C9 2765/4885CYP2D6 4249/4885ALDH1A1 4281/4885
US-20120238765-A1 AROMATIC COMPOUND AHR, AR, NR0B1 CYP2C9 146/4885CYP2D6 99/4885ALDH1A1 2125/4885

“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.