SCHEMBL328393

SCHEMBL328393

Cc1cc(F)c(Oc2ccc(Br)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 3/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
KMT2A Q03164 2/20 0.33
PTGS1 P23219 2/20 0.33
SLC6A4 P31645 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
APEX1 P27695 1/20 0.33
MPI P34949 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL778934 0.84 ACHE (0.42) ALDH1A1SMN1; SMN2PTGS2DRD2DRD4
SCHEMBL15596860 0.81 MAPT (0.41) MAPTPTGS2MAOAMAOBSLC6A4
SCHEMBL778776 0.81 PTGDR2 (0.42) MAPTALDH1A1SMN1; SMN2PTGS2MAOA
SCHEMBL11989285 0.80 MAPT (0.38) MAPTALDH1A1PTGS2MAOAMAOB
SCHEMBL14997969 0.80 MAPT (0.41) MAPTALDH1A1PTGS2MAOAMAOB
SCHEMBL11990100 0.80 MAPT (0.37) MAPTSMN1; SMN2PTGS2MAOAMAOB
SCHEMBL778762 0.80 LTA4H (0.44) MAPTALDH1A1SMN1; SMN2MAOBKMT2A
SCHEMBL1129355 0.78 MAPT (0.45) MAPTALDH1A1MAOAMAOBSLC6A4
SCHEMBL17423587 0.78 MAPT (0.45) MAPTALDH1A1MAOAMAOBSLC6A4
SCHEMBL26186440 0.77 AR (0.39) MAPTALDH1A1SMN1; SMN2PTGS2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140206865-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2014-07-24 US disclosed
US-20140206865-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2014-07-24 US disclosed
US-20130144056-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-06-06 US disclosed
US-20130144056-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-06-06 US disclosed
US-20120270884-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2012-10-25 US disclosed
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-20120071653-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2012-03-22 US disclosed
EP-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed
US-7989661-B2 Human ADAM-10 inhibitors SYMPHONY EVOLUTION, INC. (US) 2011-08-02 US disclosed
US-20110082114-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2011-04-07 US disclosed
US-20110082114-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2011-04-07 US disclosed
US-20100105953-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2010-04-29 US disclosed
US-7629341-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma SYMPHONY EVOLUTION, INC. (US) 2009-12-08 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP 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 (7 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-20120270884-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors ADAM10, ADAM17, ADAM12 MAPT 3137/4885ALDH1A1 2454/4885SMN1; SMN2 3734/4885
US-20120071653-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 MAPT 3130/4885ALDH1A1 541/4885SMN1; SMN2 3277/4885
US-20100105953-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 MAPT 3130/4885ALDH1A1 541/4885SMN1; SMN2 3277/4885
US-20110082114-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors ADAM10, ADAM17, ADAM12 MAPT 2971/4885ALDH1A1 2168/4885SMN1; SMN2 3456/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 MAPT 3451/4885ALDH1A1 4310/4885SMN1; SMN2 4470/4885
US-20140206865-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 MAPT 3130/4885ALDH1A1 541/4885SMN1; SMN2 3277/4885
US-20130144056-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 MAPT 3130/4885ALDH1A1 541/4885SMN1; SMN2 3277/4885

“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.