SCHEMBL6741390

SCHEMBL6741390

CC1=CC(=C(C#N)C#N)C=C(/C=C/c2ccc(N)cc2)O1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.37
CYP19A1 P11511 10/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NQO2 P16083 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6741393 1.00 APP (0.37) APPCYP19A1MAOAMAOBNQO2
SCHEMBL10888410 0.92 APP (0.43) APPCYP19A1MAOAMAOBNQO2
SCHEMBL10888415 0.92 APP (0.43) APPCYP19A1MAOAMAOBNQO2
SCHEMBL1170340 0.89 CA1 (0.37) MAOAMAOBKDM4EALDH1A1KMT2A
SCHEMBL12175796 0.88 MEN1 (0.36) APPCYP19A1MAOAMAOBNQO2
SCHEMBL30619970 0.88 MEN1 (0.36) APPCYP19A1MAOAMAOBNQO2
SCHEMBL13062393 0.87 PTGS1 (0.40) KDM4EALDH1A1KMT2A
SCHEMBL13354269 0.86 TTR (0.35) KDM4EALDH1A1KMT2A
SCHEMBL15762941 0.86 CYP19A1 (0.47) APPCYP19A1NQO2
SCHEMBL36940 0.84 KDM4E (0.43) APPKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040019-B2 Methods of detecting myelin basic protein GENERAL ELECTRIC COMPANY (US) 2015-05-26 US disclosed
US-9040019-B2 Methods of detecting myelin basic protein GENERAL ELECTRIC COMPANY (US) 2015-05-26 US disclosed
US-8772048-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2014-07-08 US disclosed
US-20140154178-A1 METHODS OF DETECTING MYELIN BASIC PROTEIN GENERAL ELECTRIC COMPANY (US) 2014-06-05 US disclosed
US-20140154178-A1 METHODS OF DETECTING MYELIN BASIC PROTEIN GENERAL ELECTRIC COMPANY (US) 2014-06-05 US disclosed
US-20120190098-A1 FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-26 US disclosed
US-8153446-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2012-04-10 US disclosed
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2010-02-04 US disclosed
US-6730929-B2 Organic electroluminescent device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20040061108-A1 Organic electroluminescent device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2004-04-01 US disclosed
US-20010005021-A1 Organic electroluminescent device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2001-06-28 US disclosed
EP-1111695-A2 Organic electroluminescent device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2001-06-27 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 (3 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-20140154178-A1 METHODS OF DETECTING MYELIN BASIC PROTEIN MAG, PMP22, MYT1 APP 1095/4885CYP19A1 4865/4885MAOA 3744/4885
US-20120190098-A1 FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS MPI, ACR, PFAS APP 2408/4885CYP19A1 3221/4885MAOA 456/4885
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems MPI, ACR, PFAS APP 2408/4885CYP19A1 3221/4885MAOA 456/4885

“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.