SCHEMBL3535923

SCHEMBL3535923

Cc1cccc(-c2cc[c]cc2)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TDP1 Q9NUW8 4/20 0.58
TSHR P16473 4/20 0.51
CYP3A4 P08684 1/20 0.43
PKM P14618 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HPRT1 P00492 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.39
KAT2B Q92831 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL7814268 0.84 ALDH1A1 (0.64) ALDH1A1TDP1TSHRCYP3A4PKM
SCHEMBL3537733 0.83 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCYP3A4PKM
SCHEMBL11847292 0.82 ALDH1A1 (0.78) ALDH1A1TDP1TSHRCYP3A4PKM
SCHEMBL8486255 0.81 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL27947322 0.80 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4PKM
SCHEMBL28950035 0.80 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4PKM
SCHEMBL9824568 0.80 GPR35 (0.51) ALDH1A1TDP1TSHRLMNAHPRT1
SCHEMBL3538629 0.77 TDP1 (0.58) ALDH1A1TDP1TSHRLMNASMN1; SMN2
SCHEMBL635089 0.75 ALDH1A1 (1.00) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL28521563 0.73 ALDH1A1 (0.95) ALDH1A1TDP1TSHRCYP3A4PKM

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 9 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
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318984-A1 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 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.