SCHEMBL3894725

SCHEMBL3894725

Nc1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.60
TSHR P16473 2/20 0.60
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 3/20 0.55
ALOX15 P16050 3/20 0.55
HSD17B10 Q99714 2/20 0.52
RECQL P46063 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PRKDC P78527 1/20 0.47
ERN1 O75460 3/20 0.44
PDE7A Q13946 2/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
VCAM1 P19320 1/20 0.41

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
SCHEMBL29952379 1.00 TDP1 (0.60) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL28231121 0.85 ALDH1A1 (0.60) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL1800032 0.78 ERN1 (0.65) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL16838212 0.78 ALDH5A1 (0.59) ALDH1A1CYP3A4ALOX15HSD17B10MAPT
SCHEMBL1254184 0.77 TDP1 (0.72) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL371170 0.77 TSHR (0.62) TSHRALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL40312 0.77 MAPK1 (0.60) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL274241 0.77 ERN1 (0.50) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL4941247 0.77 CYP3A4 (0.47) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL1014901 0.77 BACE1 (0.63) ALDH1A1CYP3A4ALOX15HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101580505-B Derivatives of pyrrolo[2,1-b]quinazoline natural products, preparation method and application thereof UNIV SHENYANG PHARMACEUTICAL 2014-09-10 CN disclosed
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
CN-101580505-A Derivatives of pyrrolo[2,1-b]quinazoline natural products, preparation method and application thereof UNIV SHENYANG PHARMACEUTICAL (CN) 2009-11-18 CN disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
EP-1266887-B1 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-17 EP disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 EP disclosed
CN-1156446-C Indenoindolone compounds, their preparation and medicinal compositions containing them ɪά��ʵ���� 2004-07-07 CN disclosed
US-6627650-B2 An isomer thereof, or an addition salt thereof with a pharmaceutically acceptable acid or base. Medicinal products containing the same which are useful as anti- cancer agents. LES LABORATOIRES SERVIER (FR) 2003-09-30 US disclosed
US-20030125369-A1 Indeno(1,2-b)indole oximes or indeno(1,2-b) indole hydrazones used as anticancer agent LES LABORATOIRES SERVIER (FR) 2003-07-03 US disclosed
CN-1390834-A Indenoindolone compounds, their preparation and medicinal compositions containing them SEUVILE LAB (FR) 2003-01-15 CN disclosed
EP-1266887-A2 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 EP 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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 TDP1 4656/4885TSHR 1021/4885ALDH1A1 1257/4885
US-20030125369-A1 Indeno(1,2-b)indole oximes or indeno(1,2-b) indole hydrazones used as anticancer agent IDO1, IDO2, AHR TDP1 1736/4885TSHR 1094/4885ALDH1A1 115/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 TDP1 4612/4885TSHR 855/4885ALDH1A1 1845/4885

“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.