SCHEMBL339923

SCHEMBL339923

O=C(C[N+](=O)[O-])c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58
PARP1 P09874 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
STAT3 P40763 1/20 0.43
ALOX5 P09917 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
IDO1 P14902 2/20 0.42
CXCR3 P49682 1/20 0.42

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
SCHEMBL11756446 0.81 TP53 (0.56)
SCHEMBL4869301 0.81 CA12 (0.50) PARP1ALDH1A1
SCHEMBL9035708 0.81 CES2 (0.55) PARP1KMT2ASMN1; SMN2
SCHEMBL8980284 0.79 PBRM1 (0.49) KMT2AALDH1A1SMN1; SMN2
SCHEMBL1277041 0.79 PARP1 (0.50) PARP1KMT2ATDP1SMN1; SMN2
SCHEMBL28415551 0.79 CES2 (0.66) KMT2AALDH1A1SMN1; SMN2
SCHEMBL5619554 0.79 PARP1 (0.50) PARP1KMT2AALDH1A1L3MBTL1ALOX5
SCHEMBL9386214 0.78 GSK3B (0.55) ERCC5FEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8779987 0.78 ERCC5 (0.61) ERCC5FEN1KMT2AALDH1A1ALOX5
SCHEMBL10715143 0.78 ERCC5 (0.60) ERCC5FEN1PARP1KMT2AALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
EP-2593435-B1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES TAIRX INC (TW) 2016-09-07 EP disclosed
CN-102898374-B A kind of preparation method of 1H-indazole analog derivative SHANGHAI BEPHARM CO., LTD. (CN) 2016-03-23 CN disclosed
CN-103347859-B Synthesis and Anticancer Activity of Aryl and Heteroaryl Quinoline Derivatives EFFICIENT PHARMA MANAGEMENT CORP. (CN) 2015-12-02 CN disclosed
CN-103347859-A Synthesis and Anticancer Activity of Aryl and Heteroaryl Quinoline Derivatives EFFICIENT PHARMA MAN CORP 2013-10-09 CN disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP disclosed
CN-102898374-A Method for preparing 1H-indazole derivative BEPHARM LTD 2013-01-30 CN disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
CN-101768114-A Synthesis method of 4-substituted-3-fluorine-2-quinolone UNIV SOUTHWEST 2010-07-07 CN disclosed
CN-101747267-A Method for synthesizing 4-substituted-3-chlorine-2-carbostyril UNIV SOUTHWEST 2010-06-23 CN disclosed
CN-101747268-A Method for synthesizing 4-substituted-3-bromo-2-quinolone UNIV SOUTHWEST 2010-06-23 CN disclosed
WO-1994002145-A2 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 1994-02-03 WO disclosed
US-4888041-A POST EMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1989-12-19 US disclosed
US-4656267-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1987-04-07 US disclosed
US-4555571-A Substituted 2(1H)-quinazolinone-1-alkanoic acids and esters ORTHO PHARMACEUTICAL CORPORATION (US) 1985-11-26 US disclosed
EP-0138491-A2 Substituted 2(1H)-quinazolinone-1-alkanoic acids and esters ORTHO PHARMACEUTICAL CORPORATION (US) 1985-04-24 EP disclosed
US-4352942-A TREATMENT OF ISOMERIC MIXTURE OF NITRO AROMATIC KETO COMPOUNDS WITH OLEUM GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-05 US 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 (1 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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 ERCC5 2497/4885FEN1 3064/4885PARP1 294/4885

“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.