SCHEMBL5333075

SCHEMBL5333075

O=[N+]([O-])c1ccc(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.66
TDP1 Q9NUW8 3/20 0.59
ALDH1A1 P00352 7/20 0.57
TSHR P16473 3/20 0.57
GPR35 Q9HC97 2/20 0.57
MAPK1 P28482 2/20 0.57
HIF1A Q16665 2/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TXNRD1 Q16881 1/20 0.55
TXNRD3 Q86VQ6 1/20 0.55
TXNRD2 Q9NNW7 1/20 0.55
SNCA P37840 1/20 0.52
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL11429326 0.91 CYP1A2 (0.57) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL27961047 0.89 CYP1A2 (0.68) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL11775774 0.89 CYP1A2 (0.58) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL11778027 0.89 CYP1A2 (0.58) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL10890268 0.86 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL188306 0.86 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL10891708 0.86 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL7665273 0.86 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL29638033 0.86 CYP1A2 (0.64) CYP1A2TDP1ALDH1A1TSHRGPR35
SCHEMBL5248985 0.86 CYP1A2 (0.59) CYP1A2TDP1ALDH1A1TSHRGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005519-B1 QUICK TEST FOR THE DETERMINATION OF AMMONIA OR OF SUBSTRATES LIBERATING AMMONIA IN REACTIONS Roche Diagnostics GmbH (DE) 1983-04-13 EP claimed
EP-0005518-B1 BIS-(2,4-DINITROPHENYL)-METHYL-PYRIDINIUM COMPOUNDS, METHODS FOR THEIR PREPARATION AND THEIR USE AS PH INDICATORS Roche Diagnostics GmbH (DE) 1981-09-16 EP claimed
US-7803284-B2 Heat transfer fluids SOLVAY SOLEXIS S.P.A. (IT) 2010-09-28 US disclosed
US-20100222244-A1 LUBRICATING COMPOSITIONS BASED ON PERFLUOROPOLYETHERS SOLVAY SOLEXIS S.P.A. (IT) 2010-09-02 US disclosed
US-20090008596-A1 HEAT TRANSFER FLUIDS SOLVAY SOLEXIS S.P.A. (IT) 2009-01-08 US disclosed
US-20080319001-A1 Cancer Treatment Using Specific 3,6,9-Substituted Acridines CANCER RESEARCH TECHNOLOGY LTD (GB) 2008-12-25 US disclosed
US-7405296-B2 Additives of lubricating oils and greases capable to improve their thermal stability; perfluoropolyether; good antirust properties and good stability (high shelf life) to storage at 25 degrees C (without phase separation) SOLVAY SOLEXIS S.P.A. (IT) 2008-07-29 US disclosed
US-7300930-B2 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-27 US disclosed
US-7300930-B2 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-27 US disclosed
US-7300930-B2 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-27 US disclosed
US-7205311-B2 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED 2007-04-17 US disclosed
EP-1363888-A2 THERAPEUTIC ACRIDONE AND ACRIDINE COMPOUNDS Cancer Research Technology Limited (GB) 2003-11-26 EP disclosed
US-20030207909-A1 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-11-06 US disclosed
WO-2002008193-A2 THERAPEUTIC ACRIDONE AND ACRIDINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-01-31 WO disclosed
EP-0071338-B1 ELECTROVISCOUS FLUIDS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-08-21 EP disclosed
EP-0005518-B1 BIS-(2,4-DINITROPHENYL)-METHYL-PYRIDINIUM COMPOUNDS, METHODS FOR THEIR PREPARATION AND THEIR USE AS PH INDICATORS Roche Diagnostics GmbH (DE) 1981-09-16 EP disclosed
US-4245096-A USEFUL AS PH INDICATORS OF FOR THE DETECTION OF AMMONIA BOEHRINGER MANNHEIM GMBH (DE) 1981-01-13 US disclosed
EP-0005519-A2 Quick test for the determination of ammonia or of substrates liberating ammonia in reactions Roche Diagnostics GmbH (DE) 1979-11-28 EP disclosed
US-3996052-A Phototropic compounds as acid catalyst in photopolymerizing process AMERICAN CAN COMPANY (US) 1976-12-07 US disclosed
US-3949143-A Epoxy resin coatings cured with phototropic aromatic nitro compounds AMERICAN CAN COMPANY (US) 1976-04-06 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-20030207909-A1 Therapeutic acridone and acridine compounds NAT1, TERT, CCNA1 CYP1A2 2521/4885TDP1 347/4885ALDH1A1 75/4885
US-20080319001-A1 Cancer Treatment Using Specific 3,6,9-Substituted Acridines FOLR1, TP53, FOLR2 CYP1A2 581/4885TDP1 923/4885ALDH1A1 56/4885

“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.