SCHEMBL3540919

SCHEMBL3540919

Cc1cc([N+](=O)[O-])ccc1-c1cc[c]cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 3/20 0.55
TSHR P16473 3/20 0.55
CYP3A4 P08684 4/20 0.51
PTPRC P08575 3/20 0.44
S100A4 P26447 2/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
PTGS2 P35354 2/20 0.42
ACHE P22303 3/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
NPBWR1 P48145 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
LMNA P02545 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
SCHEMBL3537901 0.87 ALDH1A1 (0.55) ALDH1A1TDP1TSHRCYP3A4PTPRC
SCHEMBL14154089 0.86 ALDH1A1 (0.62) ALDH1A1TDP1TSHRCYP3A4PTPRC
SCHEMBL7112609 0.83 PTGS2 (0.59) ALDH1A1TDP1TSHRCYP3A4PTPRC
SCHEMBL30683694 0.82 ALDH1A1 (0.72) ALDH1A1TDP1TSHRCYP3A4PTPRC
SCHEMBL3539156 0.81 TSHR (0.49) ALDH1A1TDP1TSHRCYP3A4PTPRC
SCHEMBL9807396 0.80 ALDH1A1 (0.55) ALDH1A1TDP1TSHRCYP3A4PTPRC
SCHEMBL3828843 0.80 ALDH1A1 (0.55) ALDH1A1TDP1TSHRCYP3A4PTPRC
SCHEMBL22130321 0.80 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4PTPRC
SCHEMBL7112567 0.80 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4PTPRC
SCHEMBL8726182 0.76 TDP1 (0.59) ALDH1A1TDP1TSHRCYP3A4AKR1C3

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-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024667-A1 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 ALDH1A1 1661/4885TDP1 2268/4885TSHR 662/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 ALDH1A1 1459/4885TDP1 2927/4885TSHR 696/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 ALDH1A1 1858/4885TDP1 2375/4885TSHR 529/4885

“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.