SCHEMBL328386

SCHEMBL328386

Cc1ccc(Oc2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.48
SLC6A4 P31645 8/20 0.48
KCNH2 Q12809 8/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SCN9A Q15858 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
SCHEMBL15360092 0.89 SLC6A4 (0.55) HTR2ASLC6A4KCNH2SMN1; SMN2KDM4E
SCHEMBL22199022 0.89 HSPB1 (0.45) HTR2ASLC6A4KCNH2MEN1ALDH1A1
SCHEMBL328380 0.85 SLC6A4 (0.50) HTR2ASLC6A4KCNH2LMNASCN9A
SCHEMBL22199016 0.84 ACHE (0.50) SMN1; SMN2MEN1ALDH1A1MAPTKMT2A
SCHEMBL22114121 0.83 HTR2A (0.61) HTR2ASLC6A4KCNH2SCN9A
SCHEMBL328382 0.81 SLC6A4 (0.45) HTR2ASLC6A4SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL18646614 0.81 HSPB1 (0.58) HTR2ASLC6A4KCNH2SMN1; SMN2KDM4E
SCHEMBL2666174 0.81 MAPT (0.50) HTR2ASLC6A4KCNH2SMN1; SMN2KDM4E
SCHEMBL26493853 0.80 ACHE (0.46) SLC6A4KCNH2ALDH1A1CYP1A2
SCHEMBL27115327 0.79 ALDH1A1 (0.44) SLC6A4SMN1; SMN2MEN1ALDH1A1MAPT

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-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 EP disclosed
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-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-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 HTR2A 2513/4885SLC6A4 3768/4885KCNH2 1956/4885
US-20120071653-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 HTR2A 3779/4885SLC6A4 1831/4885KCNH2 4741/4885
US-20100105953-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 HTR2A 3779/4885SLC6A4 1831/4885KCNH2 4741/4885
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 HTR2A 1619/4885SLC6A4 3410/4885KCNH2 2477/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 HTR2A 4843/4885SLC6A4 4558/4885KCNH2 4422/4885
US-20140206865-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 HTR2A 3779/4885SLC6A4 1831/4885KCNH2 4741/4885
US-20130144056-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 HTR2A 3779/4885SLC6A4 1831/4885KCNH2 4741/4885

“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.