SCHEMBL778692

SCHEMBL778692

Cc1ccc(Oc2ccc3c(c2)OCO3)nc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 3/20 0.46
OGA O60502 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAOB P27338 4/20 0.43
NOS2 P35228 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL15596862 0.82 ALDH1A1 (0.49) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL14997976 0.82 ALDH1A1 (0.49) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL12619318 0.82 RAB9A (0.49) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL12653306 0.82 NPC1 (0.50) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL257873 0.79 ALDH1A1 (0.69) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL10381933 0.79 THRB (0.56) RAB9AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL10833499 0.78 ALDH1A1 (0.44) NPC1RAB9AALDH1A1MAPK1MAPT
SCHEMBL13604922 0.78 ALDH1A1 (0.42) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL8737052 0.75 KDM4E (0.66) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6165864 0.75 ALDH1A1 (0.78) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2

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 14 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-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-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
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-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

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 NPC1 4531/4885RAB9A 2919/4885ALDH1A1 2454/4885
US-20120071653-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 NPC1 1431/4885RAB9A 523/4885ALDH1A1 541/4885
US-20100105953-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 NPC1 1431/4885RAB9A 523/4885ALDH1A1 541/4885
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 NPC1 4456/4885RAB9A 2899/4885ALDH1A1 2168/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 NPC1 2394/4885RAB9A 661/4885ALDH1A1 4310/4885
US-20140206865-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 NPC1 1431/4885RAB9A 523/4885ALDH1A1 541/4885
US-20130144056-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 NPC1 1431/4885RAB9A 523/4885ALDH1A1 541/4885

“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.