SCHEMBL4440392

SCHEMBL4440392

O=C1OC(=O)c2c1cc([N+](=O)[O-])c1ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.49
HPRT1 P00492 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
ALDH1A1 P00352 6/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
STAT6 P42226 1/20 0.45
HIF1A Q16665 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.42
S100A4 P26447 2/20 0.40
PTPRC P08575 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
SCHEMBL4958062 0.82 TDP1 (0.58) CTSBTDP1ALDH1A1S100A4PTPRC
SCHEMBL31167470 0.76 ALDH1A1 (0.43) TDP1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL772686 0.76 ALDH1A1 (0.59) TDP1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL1601435 0.75 SIRT2 (0.48) CTSBHPRT1TDP1SIRT2ALDH1A1
SCHEMBL9621304 0.74 CYP3A4 (0.59) HPRT1TDP1ALDH1A1TP53CYP1A2
SCHEMBL3855976 0.73 CASP6 (0.54) CTSBHPRT1TDP1SIRT2ALDH1A1
SCHEMBL10883587 0.72 ALDH1A1 (0.56) HPRT1TDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL30631737 0.72 ALDH1A1 (0.56) HPRT1TDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL8550500 0.72 ALDH1A1 (0.47) TDP1ALDH1A1TSHRLMNAS100A4
SCHEMBL8653951 0.72 S100A4 (0.52) CTSBTDP1ALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250044298-A1 Oligosaccharide-Fluorescent Marker, and Preparation Method and Use thereof UNIV JIANGNAN (CN) 2025-02-06 US disclosed
WO-2022077052-A1 PROBE COMPOUNDS FOR MITOCHONDIAL MEMBRANE IMAGING THE UNIVERSITY OF SYDNEY (AU) 2022-04-21 WO disclosed
WO-2015013456-A1 INDICATOR COMPOUNDS, POLYMERIZABLE DERIVATIVES THEREOF AND INFECTION INDICATING MEDICAL DEVICES COMPRISING THE SAME INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2015-01-29 WO disclosed
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
EP-2118065-B1 Substituted 1H-benz[de]isoquinoline-1,3-diones COUNCIL SCIENT IND RES (IN) 2013-08-14 EP disclosed
EP-2118065-A1 NOVEL SUBSTITUTED 1H-BENZ ÝDE¨ISOQUINOLINE-1, 3 -DIONES Council of Scientific & Industrial Research (IN) 2009-11-18 EP disclosed
WO-2008084496-A1 NOVEL SUBSTITUTED 1H-BENZ [DE] ISOQUINOLINE-1, 3 -DIONES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-07-17 WO disclosed
EP-1871844-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C Technologies LLC (US) 2008-01-02 EP disclosed
WO-2007008389-A2 USE OF COLOR CHANGING INDICATORS IN CONSUMER PRODUCTS C2C TECHNOLOGIES LLC (US) 2007-01-18 WO disclosed
US-20070010400-A1 Use of color changing indicators in consumer products C2C TECHNOLOGIES, LLC 2007-01-11 US disclosed
US-4939069-A Photopolymerizable composition NIPPON PAINT CO., LTD. (JP) 1990-07-03 US disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
US-4675370-A Resin systems derived from benzocyclobutene-alkyne imide monomers UNIVERSITY OF DAYTON (US) 1987-06-23 US disclosed
EP-0010994-B1 PROCESS FOR PRODUCING SUBSTITUTED NAPHTHALIC ACID COMPOUNDS BRENT CHEMICALS INTERNATIONAL PLC (GB) 1983-04-20 EP disclosed
US-4380619-A POLYBENZOTHIAZOLES; N-HETEROCYCLIC POLYMERS; SOLUBILITY; HEAT RESISTANCE; AIRCRAFT; AEROSPACE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1983-04-19 US disclosed
US-4371694-A DENITRATION, AMINATION BRENT CHEMICALS INTERNATIONAL LIMITED (GB) 1983-02-01 US disclosed
WO-1980000963-A1 AROMATIC COMPOUNDS AND THEIR MANUFACTURE BRENT CHEMICALS INT (GB) 1980-05-15 WO disclosed
EP-0010994-A1 Process for producing substituted naphthalic acid compounds BRENT CHEMICALS INTERNATIONAL PLC (GB) 1980-05-14 EP disclosed
US-4151358-A Ethynyl-substituted bis-naphthalimides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1979-04-24 US disclosed
US-4086248-A Ethynyl-substituted aromatic anhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1978-04-25 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 (2 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-20070010400-A1 Use of color changing indicators in consumer products NQO2, CA4, CA7 CTSB 2244/4885HPRT1 951/4885TDP1 1487/4885
US-20250044298-A1 Oligosaccharide-Fluorescent Marker, and Preparation Method and Use thereof FUCA2, FUT5, OSTC CTSB 3460/4885HPRT1 798/4885TDP1 4709/4885

“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.