SCHEMBL3538629

SCHEMBL3538629

Cc1c(-c2cc[c]cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.49
S100A4 P26447 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KLK3 P07288 1/20 0.43
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
GPR35 Q9HC97 1/20 0.40
PTPRC P08575 1/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL5157627 0.84 TDP1 (0.69) TDP1TSHRSMN1; SMN2ALDH1A1S100A4
SCHEMBL3535775 0.83 TDP1 (0.53) TDP1TSHRSMN1; SMN2ALDH1A1S100A4
SCHEMBL3541396 0.82 ALDH1A1 (0.71) TDP1TSHRALDH1A1S100A4MAPK1
SCHEMBL9550119 0.82 TDP1 (0.78) TDP1TSHRSMN1; SMN2ALDH1A1S100A4
SCHEMBL6190538 0.80 TDP1 (0.50) TDP1TSHRSMN1; SMN2ALDH1A1S100A4
SCHEMBL27775375 0.80 TDP1 (0.58) TDP1TSHRSMN1; SMN2ALDH1A1S100A4
SCHEMBL3534700 0.77 TSHR (0.53) TDP1TSHRSMN1; SMN2ALDH1A1S100A4
SCHEMBL3535923 0.77 ALDH1A1 (0.58) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9550137 0.75 TDP1 (0.56) TDP1TSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL472112 0.75 TDP1 (1.00) TDP1TSHRSMN1; SMN2ALDH1A1S100A4

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-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
WO-2004030671-A2 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 TDP1 2268/4885TSHR 662/4885SMN1; SMN2 3563/4885
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 TDP1 2927/4885TSHR 696/4885SMN1; SMN2 4194/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 TDP1 2375/4885TSHR 529/4885SMN1; SMN2 4071/4885

“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.