SCHEMBL3537270

SCHEMBL3537270

Cc1ccc(-c2cc[c]cc2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 4/20 0.51
RECQL P46063 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAPT P10636 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
HSD17B10 Q99714 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
MAPK1 P28482 1/20 0.40
MCOLN3 Q8TDD5 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
SCHEMBL17117159 0.89 TSHR (0.62) ALDH1A1TSHRRECQLCYP3A4MAPT
SCHEMBL7190826 0.87 TSHR (0.64) ALDH1A1TSHRRECQLCYP3A4MAPT
SCHEMBL3534120 0.86 MAPT (0.49) ALDH1A1TSHRRECQLCYP3A4MAPT
SCHEMBL9999827 0.84 ALDH1A1 (0.56) ALDH1A1TSHRRECQLCYP3A4MAPT
SCHEMBL15203036 0.82 CRHBP (0.58) ALDH1A1TSHRRECQLCYP3A4MAPT
SCHEMBL1514401 0.82 CRHBP (0.58) ALDH1A1TSHRRECQLCYP3A4MAPT
SCHEMBL3543624 0.81 ALDH1A1 (0.46) ALDH1A1TSHRRECQLCYP3A4MAPT
SCHEMBL20364812 0.81 ALDH1A1 (0.53) ALDH1A1TSHRRECQLCYP3A4MAPT
SCHEMBL31436939 0.81 ALDH1A1 (0.53) ALDH1A1TSHRRECQLCYP3A4MAPT
SCHEMBL8169393 0.80 KIF11 (0.44) ALDH1A1TSHRCYP3A4MAPTMEN1

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 10 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-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 1661/4885TSHR 662/4885RECQL 383/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 ALDH1A1 1459/4885TSHR 696/4885RECQL 694/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 ALDH1A1 1858/4885TSHR 529/4885RECQL 281/4885

“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.