SCHEMBL629679

SCHEMBL629679

Cc1c(N)cc(N)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
CYP3A4 P08684 5/20 0.55
ALDH1A1 P00352 3/20 0.55
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 7/20 0.53
ALOX15 P16050 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
MCL1 Q07820 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CCR6 P51684 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
SCHEMBL1330407 1.00 TSHR (0.55) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL314000 0.89 TSHR (0.61) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL259813 0.83 TSHR (0.60) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL13176891 0.83 TSHR (0.60) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL11095264 0.82 ALOX15 (0.58) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL938651 0.82 GPR35 (0.61) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL27801299 0.81 ALDH1A1 (0.49) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL4748374 0.80 TSHR (0.47) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL5203487 0.80 CYP1A2 (0.52) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL3611223 0.80 TSHR (0.47) TSHRCYP3A4ALDH1A1RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652912-A Preparation and application of nitroreductase recombinant plasmid 中国人民解放军军事科学院防化研究院 2024-09-17 CN claimed
CN-118703370-A Preparation and application methods of TNT and intermediate toxic byproduct degrading bacterial agent thereof 中国人民解放军军事科学院防化研究院 2024-09-27 CN disclosed
CN-118652912-A Preparation and application of nitroreductase recombinant plasmid 中国人民解放军军事科学院防化研究院 2024-09-17 CN disclosed
US-9856499-B2 Long chain organic acid bioproduction WILLIAM MARSH RICE UNIVERSITY (US) 2018-01-02 US disclosed
US-20150044743-A1 LONG CHAIN ORGANIC ACID BIOPRODUCTION WILLIAM MARSH RICE UNIVERSITY 2015-02-12 US disclosed
US-8569451-B2 Affinity material BIOTAGE AB (SE) 2013-10-29 US disclosed
EP-2419452-B1 AFFINITY MATERIAL BIOTAGE AB (SE) 2013-08-21 EP disclosed
WO-2013096665-A1 LONG CHAIN ORGANIC ACID BIOPRODUCTION WILLIAM MARSH RICE UNIVERSITY (US) 2013-06-27 WO disclosed
US-20120095165-A1 AFFINITY MATERIAL BIOTAGE AB (SE) 2012-04-19 US disclosed
EP-2419452-A1 AFFINITY MATERIAL Biotage AB (SE) 2012-02-22 EP disclosed
US-6475387-B1 Microbiological method for eliminating a nitroaromatic compound COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2002-11-05 US disclosed
US-6066772-A ADMIXING THE EXPLOSIVES CONTAMINATED SOIL WITH MICROORGANISM AND CARBON SOURCE UNDER ANAEROBIC CONDITIONS TO PRODUCE AN ANAEROBIC BIOREMEDIATION PRODUCT, THEN MIXING IN COMPOSTABLE MATERIAL AND AEROBICALLY BIOREMEDIATING TO HUMIC COMPOUNDS WASTE MANAGEMENT, INC. (US) 2000-05-23 US disclosed
US-6051420-A Method for the decontamination of soil containing solid organic explosives therein BECHTEL BWXT IDAHO, LLC (US) 2000-04-18 US disclosed
WO-1999010298-A1 TREATMENT OF TNT-CONTAMINATED SOIL WASTE MANAGEMENT, INC. (US) 1999-03-04 WO disclosed
WO-1998053105-A1 METHOD FOR THE DECONTAMINATION OF SOIL CONTAINING SOLID ORGANIC EXPLOSIVES THEREIN LOCKHEED MARTIN IDAHO TECHNOLOGIES COMPANY (US) 1998-11-26 WO disclosed
WO-1995028475-A2 BIOLOGICAL ISOLATES FOR DEGRADING NITROAROMATICS AND NITRAMINES IN WATER AND SOILS IDAHO RESEARCH FOUNDATION, INC. (US) 1995-10-26 WO disclosed
US-5455173-A Biologically pure culture of strain of Clostridium bifermentans IDAHO RESEARCH FOUNDATION, INC. (US) 1995-10-03 US disclosed
US-4549007-A REACTION INJECTION MOLDING OF POLYURETHANES-POLYUREAS GAF CORPORATION (US) 1985-10-22 US disclosed
US-4523004-A 1,4-BUTANEDIOL AND MONOSUBSTITUTED TOLUENE DIAMINE GAF CORPORATION (US) 1985-06-11 US disclosed
EP-0102203-A1 Diamine/diol chain extender blends for RIM process GAF CORPORATION (US) 1984-03-07 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 (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-20120095165-A1 AFFINITY MATERIAL FCGR3B, FCGR2A, FCGR1A TSHR 2348/4885CYP3A4 4799/4885ALDH1A1 4210/4885

“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.