SCHEMBL2601889

SCHEMBL2601889

C#Cc1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.46
APP P05067 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NFE2L2 Q16236 1/20 0.36
CYP19A1 P11511 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
FFAR1 O14842 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36

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
SCHEMBL22870228 0.88 ALDH1A1 (0.50) APPALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL2433973 0.88 ALDH1A1 (0.50) APPALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL20969982 0.88 ALDH1A1 (0.50) APPALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL21751177 0.84 MAOB (0.50) RELANFE2L2CYP19A1MAOAMAOB
SCHEMBL21751176 0.84 MAOB (0.50) RELANFE2L2CYP19A1MAOAMAOB
SCHEMBL101911 0.84 RELA (0.60) RELAAPPALDH1A1MAPTL3MBTL1
SCHEMBL275803 0.84 RELA (0.60) RELAAPPALDH1A1MAPTL3MBTL1
SCHEMBL806444 0.84 RELA (0.60) RELAAPPALDH1A1MAPTL3MBTL1
SCHEMBL21922852 0.84 RELA (0.60) RELAAPPALDH1A1MAPTL3MBTL1
SCHEMBL275802 0.84 RELA (0.60) RELAAPPALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS NDSU RESEARCH FOUNDATION (US) 2012-04-26 US disclosed
US-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS NDSU RESEARCH FOUNDATION (US) 2012-04-26 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 (1 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-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS OCIAD2, OCIAD1, NONO RELA 1415/4885APP 1584/4885ALDH1A1 3698/4885

“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.