SCHEMBL6463

SCHEMBL6463

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 11/20 1.00
MERTK Q12866 2/20 0.57
KAT2B Q92831 1/20 0.48
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL12253372 1.00 VCAM1 (1.00) VCAM1MERTKKAT2BMAPTTDP1
SCHEMBL6387 0.85 VCAM1 (0.74) VCAM1MERTKKAT2BMAPTTDP1
SCHEMBL2685395 0.85 VCAM1 (0.73) VCAM1MERTKTDP1MAPK1
SCHEMBL698857 0.83 VCAM1 (0.71) VCAM1MERTKMAPTTDP1MAPK1
SCHEMBL4477143 0.82 VCAM1 (0.70) VCAM1MERTKKAT2BMAPTTDP1
SCHEMBL2683998 0.81 VCAM1 (0.69) VCAM1MERTKTDP1MAPK1
SCHEMBL16953440 0.81 VCAM1 (0.69) VCAM1MERTKTDP1MAPK1
SCHEMBL17347334 0.81 VCAM1 (0.69) VCAM1MERTKKAT2BMAPT
SCHEMBL8143514 0.79 VCAM1 (0.66) VCAM1MERTKKAT2BMAPTTDP1
SCHEMBL16387399 0.79 VCAM1 (0.66) VCAM1MERTKKAT2BMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111668481-B Preparation method of metal aluminum secondary battery with multi-group organic micromolecules as positive electrode 北京科技大学 2021-12-03 CN claimed
CN-111995545-A Method for synthesizing 4-chloro-3-nitrobenzonitrile by using microchannel reactor 成都艾必克医药科技有限公司 2020-11-27 CN claimed
CN-111668481-A Preparation method of metal aluminum secondary battery with multi-group organic micromolecules as positive electrode 北京科技大学 2020-09-15 CN claimed
CN-110590739-A Preparation method of erlotinib 中国药科大学 2019-12-20 CN claimed
US-9870909-B2 Compositions and methods for mass spectometry MSTM, LLC 2018-01-16 US claimed
WO-2014041564-A1 COVERT SECURITY MARKERS COMPOSITION AND AUTHENTICATION METHOD COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-03-20 WO claimed
CN-101955464-A 4-(4-methoxybenzylamino)-3-(5-nitro-4-thiocyanic acid pyrimidine-2-amino) benzonitrile, preparation method and application thereof TOPHARMAN SHANGHAI CO LTD 2011-01-26 CN claimed
US-6336963-B1 INK COMPOSITION COMPRISING INK VEHICLE COMPRISING FIRST NITRILE COMPOUND HAVING FIRST VISCOSITY AT MELT TEMPERATURE, VISCOSITY MODIFIER COMPRISING SECOND NITRILE COMPOUND HAVING LOWER VISCOSITY AT MELT TEMPERATURE, COLORANT XEROX CORPORATION 2002-01-08 US claimed
US-5591378-A IN COMBINATION WITH PEROXYGEN SOURCE, FORMATION OF PEROXYIMIDIC ACID THE CLOROX COMPANY (US) 1997-01-07 US claimed
JP-2268147-A None JP disclosed
EP-4594318-A1 AKT1 MODULATORS Alterome Therapeutics, Inc. (US) 2025-08-06 EP disclosed
US-12338226-B2 Substituted benzodiazoles and use thereof in therapy THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2025-06-24 US disclosed
CN-120004863-A ALK protein degradation agent and application thereof in resisting tumor 江苏天士力帝益药业有限公司 2025-05-16 CN disclosed
EP-4543863-A1 FERROPTOSIS INHIBITORS AND USES THEREOF University Of Ottawa (CA) 2025-04-30 EP disclosed
US-4229459-A Combating fungi with 1-azol-1-yl-1-phenoxy-2-alkane ethers BAYER AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
US-4169153-A PROPHYLAXIS, ANTIHISTAMINES THE UPJOHN COMPANY (US) 1979-09-25 US disclosed
US-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed
US-4145342-A NITRO-DIPHENYLAMINO-AZO-PHENYL DYESTUFFS CONTAINING A POLYALKYENEOXY GROUP BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 US disclosed
US-4091011-A PROPHYLACTIC ANTIANAPHYLACTICS, ANTIALLERGENS THE UPJOHN COMPANY (US) 1978-05-23 US disclosed
US-3947438-A Decarbonylation of quinoxalines PFIZER INC. (US) 1976-03-30 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-12338226-B2 Substituted benzodiazoles and use thereof in therapy XDH, CYP11B2, CYP4X1 VCAM1 4153/4885MERTK 2343/4885KAT2B 886/4885

“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.