SCHEMBL3539604

SCHEMBL3539604

Cc1ccc([N+](=O)[O-])c(-c2c[c]ccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPRT1 P00492 1/20 0.39
MAOB P27338 2/20 0.39
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
FBP1 P09467 1/20 0.38
ACHE P22303 2/20 0.37
MEN1 O00255 3/20 0.36
NPC1 O15118 1/20 0.36
ALPL P05186 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KAT2B Q92831 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL3536085 0.88 TSHR (0.49) TSHRCYP3A4TDP1ALDH1A1HPRT1
SCHEMBL3538212 0.81 TSHR (0.55) TSHRCYP3A4TDP1ALDH1A1HPRT1
SCHEMBL2960948 0.81 ALDH1A1 (0.61) TSHRCYP3A4TDP1ALDH1A1HPRT1
SCHEMBL3534126 0.80 ALDH1A1 (0.65) CYP3A4TDP1ALDH1A1MAOBMAPT
SCHEMBL3535307 0.78 MAPT (0.44) TSHRCYP3A4TDP1ALDH1A1MAPT
SCHEMBL3535775 0.78 TDP1 (0.53) TSHRTDP1ALDH1A1MAPTKMT2A
SCHEMBL2750831 0.76 S1PR4 (0.40) TDP1ALDH1A1MAOBMAPTKMT2A
SCHEMBL3543624 0.75 ALDH1A1 (0.46) TSHRCYP3A4TDP1ALDH1A1MAPT
SCHEMBL3536289 0.73 ALDH1A1 (0.49) TSHRCYP3A4TDP1ALDH1A1MAPT
SCHEMBL3539156 0.73 TSHR (0.49) TSHRCYP3A4TDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829566-B2 Such as (7-chloro-2-styryl-quinazolin-4-yl)-(3-imidazol-1-yl-propyl)-amine; glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents MEDERSKI WERNER 2010-11-09 US disclosed
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO 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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 TSHR 662/4885CYP3A4 550/4885TDP1 2268/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 TSHR 696/4885CYP3A4 1543/4885TDP1 2927/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 TSHR 529/4885CYP3A4 535/4885TDP1 2375/4885

“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.