SCHEMBL56979

SCHEMBL56979

O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
MAPT P10636 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
NPC1 O15118 1/20 0.61
LMNA P02545 1/20 0.61
HSP90AA1 P07900 1/20 0.61
RAB9A P51151 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TDP1 Q9NUW8 4/20 0.47
TSHR P16473 2/20 0.47
GPR35 Q9HC97 5/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
HIF1A Q16665 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TTR P02766 1/20 0.47

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
SCHEMBL29475172 1.00 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL1951372 0.82 MAPT (0.56) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL27422662 0.82 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL11760932 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL9061681 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL9061849 0.78 CYP19A1 (0.41) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL31502465 0.77 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL8898617 0.77 GRIN2D (0.54) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL10369121 0.74 TDP1 (0.49) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL4706926 0.73 GRIN2D (0.68) ALDH1A1KMT2AMEN1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150056160-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA TEXAS PHARMACEUTICALS, INC. 2015-02-26 US claimed
US-7934888-B2 Marine anti-foulant system and methods for using same VIV SUPPRESSION, INC. (US) 2011-05-03 US claimed
US-20090185867-A1 MARINE ANTI-FOULANT SYSTEM AND METHODS FOR USING SAME ASSET INTEGRITY MANAGEMENT SOLUTIONS, L.L.C., D/B/A AIMS INTERNATIONAL 2009-07-23 US claimed
EP-1098641-A4 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA ST JUDE PHARMACEUTICALS INC (US) 2003-08-27 EP claimed
EP-1098641-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA Texas Pharmaceuticals, Inc. (US) 2001-05-16 EP claimed
WO-2000006143-A1 CHEMICALLY INDUCED INTRACELLULAR HYPERTHERMIA TEXAS PHARMACEUTICALS, INC. (US) 2000-02-10 WO claimed
EP-0449975-B1 NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1997-04-23 EP claimed
US-5441743-A In thermoplastic or thermosetting binder BATTELLE MEMORIAL INSTITUTE (US) 1995-08-15 US claimed
WO-1990006975-A1 NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1990-06-28 WO claimed
US-4251301-A 1,3,5-TRINITRO-1,3,5-TRIAZACYCLOHEXANE OR 1,3,5,7-TETRANITRO-1,3,5,7-TETRAAZACYCLOOCTANE WITH 1,3,6,8-TETRANITROCARBAZOLE OR 2,4,6,2',4',6'-HEXANITROOXANILIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1981-02-17 US claimed
US-4129554-A PICRIC ACID, QUINONE, CHLORANIL, CYANOACETATE ESTER HITACHI CHEMICAL CO., LTD. (JP) 1978-12-12 US claimed
JP-52060140-A None JP disclosed
US-20260098188-A1 RELEASE AGENT COMPOSITION FOR LIGHT IRRADIATION RELEASE, AND ADHESIVE COMPOSITION FOR LIGHT IRRADIATION RELEASE NISSAN CHEMICAL CORPORATION (JP) 2026-04-09 US disclosed
EP-4678709-A1 ADHESIVE COMPOSITION, LAMINATE, AND METHOD FOR PRODUCING PROCESSED SEMICONDUCTOR SUBSTRATE Nissan Chemical Corporation (JP) 2026-01-14 EP disclosed
EP-4678708-A1 ADHESIVE COMPOSITION, LAMINATE, AND METHOD FOR PRODUCING PROCESSED SEMICONDUCTOR SUBSTRATE Nissan Chemical Corporation (JP) 2026-01-14 EP disclosed
US-4058604-A OR ACARICIDALLY ACTIVE SUBSTANCES CIBA-GEIGY AG (CH) 1977-11-15 US disclosed
JP-S5260140-A SENSITIZER FOR COLOR PIGMENT TYPE ORGANIC PHOTOCONDUCTOR RICOH CO LTD 1977-05-18 JP disclosed
US-3980799-A OR ACARICIDALLY ACTIVE SUBSTANCES CIBA-GEIGY AG (CH) 1976-09-14 US disclosed
US-3940412-A 2,4,5-Trichloro- and 2,4,5-tribromoimidazole derivatives and pesticidal compositions containing them CIBA-GEIGY AG (CH) 1976-02-24 US disclosed
US-3933491-A Imaging system XEROX CORPORATION (US) 1976-01-20 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-20260098188-A1 RELEASE AGENT COMPOSITION FOR LIGHT IRRADIATION RELEASE, AND ADHESIVE COMPOSITION FOR LIGHT IRRADIATION RELEASE ERCC1, SMC2, SMC3 ALDH1A1 622/4885KMT2A 3992/4885MEN1 4133/4885

“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.