SCHEMBL203082

SCHEMBL203082

N#Cc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.64
TDP1 Q9NUW8 5/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 2/20 0.55
KAT2B Q92831 1/20 0.51
LMNA P02545 1/20 0.50
MERTK Q12866 2/20 0.47
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
2-Nitroaniline SCHEMBL7033834 0.92 VCAM1 (0.55) VCAM1TDP1MAPTMEN1KMT2A
SCHEMBL7032441 0.87 ALDH1A1 (0.50) VCAM1TDP1MAPTMEN1KMT2A
SCHEMBL7032412 0.87 MAPT (0.50) VCAM1TDP1MAPTMEN1KMT2A
SCHEMBL31715931 0.85 VCAM1 (0.59) VCAM1TDP1MAPTMEN1KMT2A
SCHEMBL1068675 0.85 VCAM1 (0.59) VCAM1TDP1MAPTMEN1KMT2A
SCHEMBL27799226 0.83 MAPT (0.60) VCAM1TDP1MAPTMEN1KMT2A
SCHEMBL5952203 0.82 TDP1 (0.65) VCAM1TDP1MAPTMEN1KMT2A
SCHEMBL4477143 0.82 VCAM1 (0.70) VCAM1TDP1MAPTMEN1KMT2A
SCHEMBL2394881 0.81 MAPT (0.58) VCAM1TDP1MAPTMEN1KMT2A
SCHEMBL15156399 0.81 MAPT (0.54) VCAM1TDP1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114524770-B Bis-benzimidazole fluorescent dye, preparation method and application thereof 天津全和诚科技有限责任公司 2022-07-22 CN claimed
CN-114524770-A Bis-benzimidazole fluorescent dye, preparation method and application thereof 天津全和诚科技有限责任公司 2022-05-24 CN claimed
CN-113429394-A Benzimidazole blue light material and preparation method and application thereof 河南新中飞照明电子有限公司 2021-09-24 CN claimed
WO-2015022282-A1 NITROGEN-DOPED CARBON NANOTUBES AS HIGH SELECTIVE NOBLE METAL-FREE CATALYSTS FOR HYDROGENATION OF FUNCTIONALIZED NITROAROMATICS BAYER CROPSCIENCE AG (DE) 2015-02-19 WO claimed
EP-2837612-A1 Nitrogen-doped carbon nanotubes as high selective noble metal-free catalysts for hydrogenation of functionalized nitroaromatics Bayer Technology Services GmbH (DE) 2015-02-18 EP claimed
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US claimed
EP-1590332-A1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND ITS DERIVATIONS University of Delhi (IN) 2005-11-02 EP claimed
WO-2004063170-A1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND ITS DERIVATIONS UNIVERSITY OF DELHI (IN) 2004-07-29 WO claimed
EP-0004606-B1 PROCESS FOR PREPARING ANILINE COMPOUNDS ETHYL CORPORATION (US) 1982-03-10 EP claimed
US-12528827-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2026-01-20 US disclosed
US-12433872-B2 Treatment of Acanthamoeba or Balamuthia trophozoites and/or cysts GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2025-10-07 US disclosed
US-12331068-B2 Compositions and methods for inhibiting CD73 PELOTON THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
US-12275723-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-15 US disclosed
CN-119775792-A Bio-based disazo lake pigment and preparation method thereof 江苏丽王科技有限公司 2025-04-08 CN disclosed
US-4134723-A DYEING AROMATIC POLYESTER/POLYAMIDE OR AROMATIC POLYESTER/CELLULOSE BLENDS WITH DISPERSE MONOAZO DYE, ALKALINE BATH IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-01-16 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4097450-A REPAIRING NARROW CREVICE IN NICKEL-BASE SUPERALLOY HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed
US-4056523-A SULFONAMIDO SUBSTITUTED HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 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 (5 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES VCAM1 4140/4885TDP1 3288/4885MAPT 3965/4885
US-12275723-B2 Compounds and uses thereof NLN, ACHE, CLN6 VCAM1 4243/4885TDP1 611/4885MAPT 22/4885
US-12433872-B2 Treatment of Acanthamoeba or Balamuthia trophozoites and/or cysts PKD2, PKD1, MUC1 VCAM1 2489/4885TDP1 4836/4885MAPT 3562/4885
US-12331068-B2 Compositions and methods for inhibiting CD73 ENTPD5, NT5E, ENTPD1 VCAM1 1109/4885TDP1 342/4885MAPT 4367/4885
US-12528827-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors F2RL3, F2R, PF4 VCAM1 455/4885TDP1 661/4885MAPT 4792/4885

“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.