SCHEMBL5437008

SCHEMBL5437008

COc1ccc(/N=C/c2ccc(F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.70
NFE2L2 Q16236 1/20 0.61
PTGS2 P35354 4/20 0.60
PTGS1 P23219 2/20 0.60
CA12 O43570 2/20 0.60
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
CA1 P00915 1/20 0.53
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ACHE P22303 2/20 0.49
ALDH1A1 P00352 4/20 0.49
NQO2 P16083 1/20 0.47

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
SCHEMBL5437012 1.00 S100B (0.70) S100BNFE2L2PTGS2PTGS1CA12
SCHEMBL2904629 1.00 S100B (0.70) S100BNFE2L2PTGS2PTGS1CA12
SCHEMBL2904627 1.00 S100B (0.70) S100BNFE2L2PTGS2PTGS1CA12
SCHEMBL10412841 0.91 S100B (0.82) S100BPTGS2PTGS1CA12CA2
SCHEMBL2010515 0.91 S100B (0.82) S100BPTGS2PTGS1CA12CA2
SCHEMBL10733285 0.91 S100B (0.82) S100BPTGS2PTGS1CA12CA2
SCHEMBL12416630 0.91 S100B (0.82) S100BPTGS2PTGS1CA12CA2
SCHEMBL10733277 0.91 S100B (0.82) S100BPTGS2PTGS1CA12CA2
SCHEMBL4787112 0.88 S100B (0.56) S100BNFE2L2PTGS2PTGS1CA12
SCHEMBL4787108 0.88 S100B (0.56) S100BNFE2L2PTGS2PTGS1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines Universite Paris-Saclay (FR) 2021-06-15 US disclosed
US-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES Universite Paris-Saclay (FR) 2020-08-13 US disclosed
WO-2019063952-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIVERSITE PARIS-SUD (FR) 2019-04-04 WO disclosed
US-9745288-B2 Compounds and methods for treating cancer by inhibiting the urokinase receptor INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-08-29 US disclosed
US-9745288-B2 Compounds and methods for treating cancer by inhibiting the urokinase receptor INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-08-29 US disclosed
US-20150051247-A1 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2015-02-19 US disclosed
US-20150051247-A1 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2015-02-19 US disclosed
WO-2013025939-A2 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-02-21 WO disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 US disclosed
WO-2008094319-A2 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYTEM (US) 2008-08-07 WO disclosed
US-20070122341-A1 Benzylideneaniline derivatives and their radioisotope labeled compounds for binding and imaging of beta-amyloid plaques SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-05-31 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 (6 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-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES ADH1C, ADH1A, ADH5 S100B 3594/4885NFE2L2 3213/4885PTGS2 3275/4885
US-20150051247-A1 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR PLAUR, PLAU, PLG S100B 2194/4885NFE2L2 2521/4885PTGS2 387/4885
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 S100B 4126/4885NFE2L2 2158/4885PTGS2 1147/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A S100B 3361/4885NFE2L2 3096/4885PTGS2 3092/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 S100B 4126/4885NFE2L2 2158/4885PTGS2 1147/4885
US-20070122341-A1 Benzylideneaniline derivatives and their radioisotope labeled compounds for binding and imaging of beta-amyloid plaques APP, BACE1, APBA1 S100B 219/4885NFE2L2 546/4885PTGS2 3666/4885

“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.