SCHEMBL13084384

SCHEMBL13084384

C(=N\c1ccccc1)\c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
CA2 P00918 5/20 0.63
L3MBTL1 Q9Y468 5/20 0.63
CA1 P00915 4/20 0.63
KDM4E B2RXH2 4/20 0.63
GLA P06280 1/20 0.63
PTGS2 P35354 2/20 0.59
CA9 Q16790 2/20 0.59
PTGS1 P23219 1/20 0.59
CA12 O43570 1/20 0.59
LMNA P02545 3/20 0.57
MAOA P21397 1/20 0.50
S100B P04271 1/20 0.50
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
THRB P10828 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL60000 1.00 ALDH1A1 (0.63) ALDH1A1CA2L3MBTL1CA1KDM4E
SCHEMBL59999 1.00 ALDH1A1 (0.63) ALDH1A1CA2L3MBTL1CA1KDM4E
Water SCHEMBL15846002 0.97 ALDH1A1 (0.61) ALDH1A1CA2L3MBTL1CA1KDM4E
SCHEMBL22577661 0.97 ALDH1A1 (0.61) ALDH1A1CA2L3MBTL1CA1KDM4E
SCHEMBL28312209 0.97 ALDH1A1 (0.61) ALDH1A1CA2L3MBTL1CA1KDM4E
SCHEMBL9685935 0.97 ALDH1A1 (0.61) ALDH1A1CA2L3MBTL1CA1KDM4E
Ammonia Solution, Strong SCHEMBL2273341 0.97 ALDH1A1 (0.61) ALDH1A1CA2L3MBTL1CA1KDM4E
SCHEMBL340770 0.97 ALDH1A1 (0.61) ALDH1A1CA2L3MBTL1CA1KDM4E
SCHEMBL1374708 0.97 ALDH1A1 (0.61) ALDH1A1CA2L3MBTL1CA1KDM4E
Fluoride SCHEMBL28271051 0.97 ALDH1A1 (0.61) ALDH1A1CA2L3MBTL1CA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10335775-B2 Magnetically separable iron-based heterogeneous catalysts for dehydrogenation of alcohols and amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-07-02 US disclosed
CN-109071422-A The regulator that linear and false ring extension for controlling vinyl monomer polymerize 迪斯普泰科有限公司 2018-12-21 CN disclosed
US-20180147568-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-05-31 US disclosed
US-20180147568-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-05-31 US disclosed
US-9751081-B2 Self-regenerating antioxidant catalysts and methods of using the same CLEMSON UNIVERSITY (US) 2017-09-05 US disclosed
WO-2016189553-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-12-01 WO disclosed
EP-2129788-B1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS LLC (US) 2014-09-03 EP disclosed
US-8642014-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2014-02-04 US disclosed
US-8642014-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2014-02-04 US disclosed
US-8642812-B2 Frustrated Lewis pair compositions STEPHAN CONSULTING CORPORATION (CA) 2014-02-04 US disclosed
US-8519069-B2 Catalytic complex for olefin metathesis reactions, process for the preparation thereof and use thereof RIMTEC CORPORATION (JP) 2013-08-27 US disclosed
US-20130018207-A1 Frustrated Lewis Pair Compositions STEPHAN CONSULTING CORPORATION (CA) 2013-01-17 US disclosed
US-20120271019-A1 CATALYTIC COMPLEX FOR OLEFIN METATHESIS REACTIONS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF TELENE S.A.S. (FR) 2012-10-25 US disclosed
US-20100266507-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2010-10-21 US disclosed
US-20100266507-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2010-10-21 US disclosed
US-7517828-B2 Chiral broensted acid catalyst for asymmetric synthesis and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2009-04-14 US disclosed
EP-1839076-B1 YELLOW CHROMOPHORE AGENT COMPOSITION FOR INTRAOCULAR LENSES AND THE THUS OBTAINABLE LENSES PHYSIOL (BE) 2009-04-01 EP disclosed
WO-2008094637-A2 LUMINESCENT COMPOUNDS SETA BIOMEDICALS. LLC (US) 2008-08-07 WO disclosed
US-20080167255-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2008-07-10 US disclosed
US-7320972-B2 4-Biarylyl-1-phenylazetidin-2-ones MICROBIA, INC. (US) 2008-01-22 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 (6 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-20180147568-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES ADH1A, ADH1C, ADH5 ALDH1A1 97/4885CA2 3031/4885L3MBTL1 4139/4885
US-20080167255-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES APOB, CYP46A1, PCSK9 ALDH1A1 848/4885CA2 4829/4885L3MBTL1 1201/4885
US-20100266507-A1 LUMINESCENT COMPOUNDS SQLE, COASY, ZKSCAN2 ALDH1A1 2552/4885CA2 1322/4885L3MBTL1 398/4885
US-20130018207-A1 Frustrated Lewis Pair Compositions LPAR3, SSTR3, LPAR1 ALDH1A1 3734/4885CA2 4024/4885L3MBTL1 950/4885
US-20120271019-A1 CATALYTIC COMPLEX FOR OLEFIN METATHESIS REACTIONS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF COASY, POR, DHPS ALDH1A1 1784/4885CA2 3999/4885L3MBTL1 3903/4885
US-10335775-B2 Magnetically separable iron-based heterogeneous catalysts for dehydrogenation of alcohols and amines ADH1A, ADH1C, ADH5 ALDH1A1 97/4885CA2 3031/4885L3MBTL1 4139/4885

“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.