SCHEMBL92582

SCHEMBL92582

N#Cc1ccc(N=O)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.45
MAOA P21397 12/20 0.45
CYP19A1 P11511 1/20 0.36
USP8 P40818 1/20 0.35
USP7 Q93009 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TRPV4 Q9HBA0 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
SCHEMBL21159847 0.83 MAOB (0.34) MAOBMAOAALDH1A1TRPV4
SCHEMBL2619431 0.81 VCAM1 (0.49) TRPV4
SCHEMBL8739027 0.81 TRPV4 (0.52) TRPV4
SCHEMBL13482633 0.81 MAOB (0.41) MAOBMAOAKDM4EALDH1A1
SCHEMBL13361444 0.81 MAOA (0.40) MAOBMAOAALDH1A1TRPV4
SCHEMBL12990637 0.81 CYP1A2 (0.36) MAOBMAOAKDM4EUSP2ALDH1A1
SCHEMBL10273084 0.81 GRM4 (0.40) MAOBMAOAALDH1A1
SCHEMBL13482623 0.81 GRM4 (0.34) MAOBMAOAALDH1A1TRPV4
SCHEMBL13890151 0.81 GRM4 (0.40) TRPV4
SCHEMBL13751493 0.81 TSHR (0.43) MAOBMAOAKDM4EUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105384744-B Four (trifluoro ethoxy) phthalocyanine europium complexes and its preparation method and application 中国石油大学(华东) 2018-03-20 CN claimed
CN-105367579-B Four (trifluoro ethoxy) free base phthalocyanines and cobalt complex with and its preparation method and application 中国石油大学(华东) 2018-03-20 CN claimed
EP-2734504-B1 POLYMORPHIC FORMS OF COMPOUNDS AS PROLYL HYDROXYLASE INHIBITOR, AND USES THEREOF BEIJING BETTA PHARMACEUTICALS CO LTD (CN) 2016-09-14 EP claimed
EP-3546496-B1 COMPOUND LG CHEMICAL LTD (KR) 2022-02-23 EP disclosed
CN-211358766-U Fluidized bed reactor 鞍山七彩化学股份有限公司 2020-08-28 CN disclosed
US-10752780-B2 Chromophores for photochromic compositions useful for three dimensional display applications NITTO DENKO CORPORATION (JP) 2020-08-25 US disclosed
EP-3546496-A2 COMPOUND LG Chem, Ltd. (KR) 2019-10-02 EP disclosed
CN-108431134-A Benzoxazine and phthalonitrile resin blend 3M创新有限公司 2018-08-21 CN disclosed
CN-105384744-B Four (trifluoro ethoxy) phthalocyanine europium complexes and its preparation method and application 中国石油大学(华东) 2018-03-20 CN disclosed
CN-105367579-B Four (trifluoro ethoxy) free base phthalocyanines and cobalt complex with and its preparation method and application 中国石油大学(华东) 2018-03-20 CN disclosed
US-20170044373-A1 CHROMOPHORES FOR PHOTOCHROMIC COMPOSITIONS USEFUL FOR THREE DIMENSIONAL DISPLAY APPLICATIONS NITTO DENKO CORPORATION (JP) 2017-02-16 US disclosed
US-20120155242-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-06-21 US disclosed
US-20120081482-A1 Phthalocyanines and Their Use in Ink-Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2012-04-05 US disclosed
US-8129496-B2 Method for high density data storage and imaging INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-06 US disclosed
US-20120034383-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-09 US disclosed
US-8102753-B2 Method for forming deformed regions in a resin layer INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-01-24 US disclosed
US-20110108755-A1 HETEROAROMATIC PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-05-12 US disclosed
US-20080219135-A1 METHOD FOR HIGH DENSITY DATA STORAGE AND IMAGING GLOBALFOUNDRIES U.S. INC. 2008-09-11 US disclosed
US-20080199732-A1 Dendritic molecule containing metal phthalocyanine, method of preparing the same and organic light emitting diode comprising the dendritic molecule SAMSUNG DISPLAY CO., LTD. (KR) 2008-08-21 US disclosed
CN-1876615-A Double end-group phthalonitrile, resin, condensate and its preparation method and uses UNIV ELECTRONIC SCIENCE & TECH (CN) 2006-12-13 CN 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 (4 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-20080199732-A1 Dendritic molecule containing metal phthalocyanine, method of preparing the same and organic light emitting diode comprising the dendritic molecule CD40, CD40LG, CD47 MAOB 3271/4885MAOA 4047/4885CYP19A1 4591/4885
US-20120081482-A1 Phthalocyanines and Their Use in Ink-Jet Printing RB1, IDH1, CRY1 MAOB 1901/4885MAOA 2688/4885CYP19A1 2340/4885
US-10752780-B2 Chromophores for photochromic compositions useful for three dimensional display applications CRY1, RB1, BRD3 MAOB 646/4885MAOA 2329/4885CYP19A1 2342/4885
US-20110108755-A1 HETEROAROMATIC PHTHALONITRILES ARNT, PBRM1, NR4A1 MAOB 4053/4885MAOA 3800/4885CYP19A1 1685/4885

“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.