SCHEMBL328396

SCHEMBL328396

Cc1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2A6 P11509 1/20 0.54
MET P08581 1/20 0.53
PIM1 P11309 1/20 0.52
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CCR8 P51685 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
IDO1 P14902 2/20 0.49
CYP11B1 P15538 1/20 0.48
MAPT P10636 2/20 0.47
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP1 P29466 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
SCHEMBL12203428 0.97 HPGDS (0.54) HPGDSCYP3A4CYP2A6METPIM1
SCHEMBL503090 0.87 CYP3A4 (0.63) HPGDSCYP3A4CYP2A6METPIM1
SCHEMBL2480932 0.85 CYP3A4 (0.50) HPGDSCYP3A4CYP2A6METPIM1
SCHEMBL3771686 0.83 CYP3A4 (0.49) HPGDSCYP3A4CYP2A6METPIM1
SCHEMBL12797772 0.83 CYP3A4 (0.59) CYP3A4CYP2A6METCCR1CCR5
SCHEMBL12203899 0.83 CYP3A4 (0.45) HPGDSCYP3A4CYP2A6METPIM1
SCHEMBL12203789 0.83 CYP3A4 (0.45) HPGDSCYP3A4CYP2A6METPIM1
SCHEMBL7392070 0.80 HPGDS (0.58) HPGDSPIM1IDO1CYP11B1MAPT
SCHEMBL2480995 0.80 CYP3A4 (0.56) CYP3A4CYP2A6METCCR1CCR5
SCHEMBL12203643 0.79 CYP3A4 (0.47) CYP3A4CYP2A6METCCR1CCR5

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382749-A1 PHOTODRIVEN TRANSFER HYDROGENATION OF N2 TO NH3 CALIFORNIA INST OF TECHN (US) 2023-11-30 US disclosed
US-8956705-B2 Ferroelectric liquid crystal (FLC) polymers CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-02-17 US 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-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
WO-2011106276-A1 TASK CHANNEL ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-09-01 WO 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-20100220279-A1 FERROELECTRIC LIQUID CRYSTAL (FLC) POLYMERS NATIONAL SCIENCE FOUNDATION 2010-09-02 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
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
EP-1123933-A1 2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chromane as CNS active agent MERCK PATENT GmbH (DE) 2001-08-16 EP disclosed
EP-0707007-A1 Amino(thio)ether derivatives as CNS active agents MERCK PATENT GmbH (DE) 1996-04-17 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 HPGDS 742/4885CYP3A4 2984/4885CYP2A6 2522/4885
US-20120071653-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 HPGDS 395/4885CYP3A4 1197/4885CYP2A6 1519/4885
US-20100105953-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 HPGDS 395/4885CYP3A4 1197/4885CYP2A6 1519/4885
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 HPGDS 404/4885CYP3A4 3180/4885CYP2A6 2462/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 HPGDS 3557/4885CYP3A4 3292/4885CYP2A6 4115/4885
US-20140206865-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 HPGDS 395/4885CYP3A4 1197/4885CYP2A6 1519/4885
US-20130144056-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 HPGDS 395/4885CYP3A4 1197/4885CYP2A6 1519/4885

“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.