SCHEMBL8612499

SCHEMBL8612499

N#C/C=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.60
FBP1 P09467 3/20 0.58
MAPT P10636 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
PTGS2 P35354 6/20 0.51
PTGS1 P23219 2/20 0.51
CYP19A1 P11511 2/20 0.51
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCHE P06276 1/20 0.46
MAOB P27338 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL3130064 1.00 APP (0.60) APPFBP1MAPTNPC1RAB9A
SCHEMBL4750994 0.82 APP (0.62) APPFBP1MAPTNPC1RAB9A
SCHEMBL461047 0.82 APP (0.62) APPFBP1MAPTNPC1RAB9A
SCHEMBL9170800 0.81 APP (0.78) APPFBP1MAPTNPC1RAB9A
SCHEMBL14947048 0.81 APP (0.78) APPFBP1MAPTNPC1RAB9A
SCHEMBL458178 0.81 APP (0.78) APPFBP1MAPTNPC1RAB9A
SCHEMBL458177 0.81 APP (0.78) APPFBP1MAPTNPC1RAB9A
SCHEMBL9170804 0.81 APP (0.78) APPFBP1MAPTNPC1RAB9A
SCHEMBL10836804 0.81 APP (0.60) APPFBP1MAPTNPC1RAB9A
SCHEMBL10836802 0.81 APP (0.60) APPFBP1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822933-B1 CUCN-MEDIATED ONE POT PRODUCTION OF CINNAMONITRILE DERIVATIVES COUNCIL SCIENT IND RES (IN) 2016-12-28 EP disclosed
US-9096498-B2 CuCN-mediated one pot production of cinnamonitrile derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-08-04 US disclosed
US-9096498-B2 CuCN-mediated one pot production of cinnamonitrile derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-08-04 US disclosed
US-20150031899-A1 CUCN-MEDIATED ONE POT PRODUCTION OF CINNAMONITRILE DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-29 US disclosed
US-20150031899-A1 CUCN-MEDIATED ONE POT PRODUCTION OF CINNAMONITRILE DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-29 US disclosed
WO-2008127139-A1 INDICYANINE DYES AND THE DERIVATIVES THEREOF FOR ANALYSING BIOLOGICAL MICROMOLECULES INSTITUT MOLEKULYARNOI BIOLOGII IM. V.A. ENGELDARDTA ROSSIISKOI AKADEMII NAUK (RU) 2008-10-23 WO disclosed
US-5721240-A PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed
US-5565463-A PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 1996-10-15 US disclosed
EP-0460116-A4 9-SUBSTITUTED-8-UNSUBSTITUTED-9-DEAZAGUANINES 1992-05-13 EP disclosed
EP-0460116-A1 9-SUBSTITUTED-8-UNSUBSTITUTED-9-DEAZAGUANINES. BIOCRYST (US) 1991-12-11 EP disclosed
WO-1990010631-A1 9-SUBSTITUTED-8-UNSUBSTITUTED-9-DEAZAGUANINES BIOCRYST (US) 1990-09-20 WO disclosed
US-4564479-A PALLADIUM COMPOUND, PHOSPHORUS OR ARSENIC COMPOUND CIBA-GEIGY CORPORATION (US) 1986-01-14 US disclosed
US-4101543-A DYES FOR CELLULOSE ACETATES, AROMATIC POLYESTERS OR POLYAMIDES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-07-18 US disclosed
US-4012377-A ANTIMICROBIAL, PARASITICIDES GLAXO LABORATORIES LIMITED (EN) 1977-03-15 US disclosed
US-4010151-A Water insoluble mono azo and disazo dyes containing cinnamonitrile group PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-03-01 US disclosed
US-4008213-A WATER INSOLUBLE UGINE KUHLMANN (FR) 1977-02-15 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 (1 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-20150031899-A1 CUCN-MEDIATED ONE POT PRODUCTION OF CINNAMONITRILE DERIVATIVES NISCH, PNN, NCLN APP 2989/4885FBP1 2729/4885MAPT 4152/4885

“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.