SCHEMBL618153

SCHEMBL618153

N#Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
GPR35 Q9HC97 2/20 0.52
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
S100A4 P26447 1/20 0.45
HSD17B10 Q99714 1/20 0.45
VCAM1 P19320 3/20 0.44
CUL4A Q13619 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL30694393 0.88 VCAM1 (0.47) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL220318 0.88 VCAM1 (0.47) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL2413571 0.86 SMN1; SMN2 (0.46) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL621936 0.86 GPR35 (0.56) TDP1GPR35ALDH1A1HPGDHSD17B10
SCHEMBL1850626 0.86 ALDH1A1 (0.47) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL2950121 0.86 VCAM1 (0.50) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL16959740 0.86 TDP1 (0.45) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL700631 0.86 TSHR (0.58) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL21957846 0.86 VCAM1 (0.50) TDP1GPR35ALDH1A1HPGDTSHR
SCHEMBL2415689 0.86 TDP1 (0.45) TDP1GPR35ALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150204835-A1 CHEMICAL SENSORS AND METHODS OF MAKING AND USING THE SAME EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-07-23 US claimed
CN-103298849-B Oligofluoranthenes and methods and apparatuses for detecting nitroaromatics using the same UNIV TONGJI 2015-06-17 CN claimed
WO-2014000180-A1 CHEMICAL SENSORS AND METHODS OF MAKING AND USING THE SAME EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-01-03 WO claimed
US-8445868-B2 Oligofluoranthenes and methods and apparatuses for detecting nitroaromatics using the same TONGJI UNIVERSITY (CN) 2013-05-21 US claimed
US-20120280145-A1 OLIGOFLUORANTHENES AND METHODS AND APPARATUSES FOR DETECTING NITROAROMATICS USING THE SAME TONGJI UNIVERSITY (CN) 2012-11-08 US claimed
CN-1107690-C Bimaleimide copolymerizing modifier and its preparing process UNIV SICHUAN UNION (CN) 2003-05-07 CN claimed
CN-1251848-A Bimaleimide copolymerizing modifier and its preparing process UNIV SICHUAN UNION (CN) 2000-05-03 CN claimed
EP-4263518-B1 NEW QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-04-01 EP disclosed
US-12570615-B2 Quinazolinone derivatives HOFFMANN-LA ROCHE INC. 2026-03-10 US disclosed
US-20260055236-A1 POLYETHER NITRILE WITH IMPROVED CRYSTALLIZATION SPEED AND METHOD FOR PRODUCING THE SAME, AND POLYETHER NITRILE RESIN COMPOSITION AND METHOD FOR PRODUCING THE SAME HONSHU CHEMICAL IND (JP) 2026-02-26 US disclosed
EP-2603098-B1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED (US) 2025-08-06 EP disclosed
EP-4585635-A1 POLYETHER NITRILE WITH IMPROVED CRYSTALLIZATION SPEED, METHOD FOR PRODUCING SAME, POLYETHER NITRILE RESIN COMPOSITION, AND METHOD FOR PRODUCING SAME Honshu Chemical Industry Co., Ltd. (JP) 2025-07-16 EP disclosed
CN-119731238-A Polyether nitrile having improved crystallization rate and method for producing same, polyether nitrile resin composition and method for producing same 本州化学工业株式会社 2025-03-28 CN disclosed
US-4054657-A Pyrimidinyl oxamic acids and esters, and compositions and methods for the suppression of allergic manifestations AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4054666-A Compositions and methods of treating immediate hypersensitivity reactions with thiazolyl oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4036837-A 2 Alkoxyoxamoyl-pyrazines AMERICAN HOME PRODUCTS CORPORATION (US) 1977-07-19 US disclosed
US-3966965-A Oxamic acid derivatives for the prevention of immediate type hypersensitivity reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1976-06-29 US disclosed
US-3959289-A PROPHYLACTICS IN ALLERGIES THE UPJOHN COMPANY (US) 1976-05-25 US disclosed
US-3937719-A (4-OXO-4H-1-BENZOPYRAN-2-YL)-OXAMIC ACID, SALTS AND ESTERS ANTI-ALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-10 US disclosed
US-3857862-A SUBSTITUTED BENZONITRILES LILLY CO ELI 1974-12-31 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-20260055236-A1 POLYETHER NITRILE WITH IMPROVED CRYSTALLIZATION SPEED AND METHOD FOR PRODUCING THE SAME, AND POLYETHER NITRILE RESIN COMPOSITION AND METHOD FOR PRODUCING THE SAME MNS1, RPL7, NOM1 TDP1 2720/4885GPR35 3592/4885ALDH1A1 4801/4885
US-12570615-B2 Quinazolinone derivatives ABL1, NQO2, CNR1 TDP1 3277/4885GPR35 3249/4885ALDH1A1 321/4885

“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.