SCHEMBL5437012

SCHEMBL5437012

COc1ccc(N=Cc2ccc(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
SCHEMBL2904629 1.00 S100B (0.70) S100BNFE2L2PTGS2PTGS1CA12
SCHEMBL2904627 1.00 S100B (0.70) S100BNFE2L2PTGS2PTGS1CA12
SCHEMBL5437008 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0690856-B1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT UNIV NEW YORK STATE RES FOUND (US) 2002-12-04 EP disclosed
US-5705508-A FORMING TAXOL DERIVATIVES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-01-06 US disclosed
US-5599820-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-02-04 US disclosed
EP-0690856-A4 UNIV NEW YORK (US) 1996-02-07 EP disclosed
EP-0690856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-01-10 EP disclosed
US-5475011-A Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-12-12 US disclosed
WO-1994022856-A1 ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1994-10-13 WO disclosed
US-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 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-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.