SCHEMBL257518

SCHEMBL257518

O=[N+]([O-])c1ccc(-n2ccc3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
CYP19A1 P11511 1/20 0.49
MAPT P10636 5/20 0.47
ALDH1A1 P00352 1/20 0.46
CDC7 O00311 1/20 0.44
FGFR1 P11362 1/20 0.42
GLS O94925 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTT P42858 1/20 0.41
PTK2 Q05397 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL16862099 0.91 KCNH2 (0.54) SLC6A2CYP19A1MAPTALDH1A1CDC7
SCHEMBL19483168 0.90 ALDH1A1 (0.57) SLC6A2CYP19A1MAPTALDH1A1FGFR1
SCHEMBL16862008 0.88 KCNH2 (0.48) SLC6A2CYP19A1MAPTALDH1A1CDC7
SCHEMBL6298958 0.88 ACHE (0.49) CYP19A1MAPTALDH1A1HTT
SCHEMBL716278 0.88 SLC6A2 (0.61) SLC6A2CYP19A1MAPTALDH1A1CDC7
SCHEMBL15228666 0.85 CYP19A1 (0.43) SLC6A2CYP19A1MAPTALDH1A1CDC7
SCHEMBL6297057 0.84 MEN1 (0.46) MAPTALDH1A1KCNH2HTTPTK2
SCHEMBL5659240 0.83 BIRC5 (0.57) CYP19A1MAPTALDH1A1FGFR1CYP1A2
SCHEMBL9508601 0.83 SRC (0.42) MAPTALDH1A1CDC7HTT
SCHEMBL2260915 0.82 CDC7 (0.47) SLC6A2CYP19A1MAPTALDH1A1CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012029763-A1 DIAMINE, POLYIMIDE PRECURSOR, POLYIMIDE, LIQUID-CRYSTAL ALIGNMENT MATERIAL, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-03-08 WO disclosed
US-6933390-B2 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate WARNER-LAMBERT COMPANY (US) 2005-08-23 US disclosed
US-20040249185-A1 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate BARTH HUBERT (DE) 2004-12-09 US disclosed
US-6774242-B1 REACTING WITH INDOLE IN APROTIC SOLVENT GOEDECKE GMBH (DE) 2004-08-10 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-20040249185-A1 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate AZI2, KCNH1, CA7 SLC6A2 3106/4885CYP19A1 34/4885MAPT 4342/4885

“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.