SCHEMBL213965

SCHEMBL213965

O=[N+]([O-])c1cc(CO)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 11/20 0.56
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.50
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
KDM1A O60341 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL29707970 1.00 VCAM1 (0.56) VCAM1ALDH1A1KDM4EPOLBMAPT
SCHEMBL30623363 0.86 TSHR (0.53) VCAM1ALDH1A1KDM4EPOLBMAPT
SCHEMBL18766395 0.86 TSHR (0.53) VCAM1ALDH1A1KDM4EPOLBMAPT
SCHEMBL10270605 0.85 TSHR (0.58) VCAM1ALDH1A1KDM4EPOLBMAPT
SCHEMBL4520586 0.83 VCAM1 (0.53) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL515466 0.82 MAPT (0.54) ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL811582 0.81 VCAM1 (0.54) VCAM1ALDH1A1KDM4EPOLB
SCHEMBL18653119 0.81 VCAM1 (0.51) VCAM1ALDH1A1KDM4EPOLBMAPT
SCHEMBL627966 0.81 VCAM1 (0.51) VCAM1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL671271 0.81 VCAM1 (0.54) VCAM1ALDH1A1KDM4EPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109406609-B Electrochemical method for on-line analysis of nitro reduction reaction 联化科技股份有限公司 2021-06-04 CN claimed
CN-106045802-A Preparation method of alicyclic and aromatic-aliphatic chloroformate 长江大学 2016-10-26 CN claimed
EP-4630114-A1 NEW CYANOPYRIDINE KHK INHIBITOR COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2025-10-15 EP disclosed
US-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION THE ROCKEFELLER UNIVERSITY (US) 2024-10-17 US disclosed
EP-3962915-B1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2024-09-04 EP disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
WO-2024121183-A1 NEW CYANOPYRIDINE KHK INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-13 WO disclosed
EP-4380562-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION The Rockefeller University (US) 2024-06-12 EP disclosed
EP-4320121-A2 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF LifeArc (GB) 2024-02-14 EP disclosed
CN-117545751-A 2, 4-diaminopyrimidine derivatives as ULK1/2 inhibitors and their use 生命爱科 2024-02-09 CN disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-4215219-A CHELATING AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1980-07-29 US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US disclosed
US-4174454-A VIRICIDES ELI LILLY AND COMPANY (US) 1979-11-13 US disclosed
US-4150028-A Antiviral thiazolinyl benzimidazoles ELI LILLY AND COMPANY (US) 1979-04-17 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4118742-A VIRICIDES ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4085261-A CHELATING AGENT WITH A STYRENE POLYMER BACKBONE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-04-18 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed
US-3974110-A Modification of polystyrene by Friedel-Crafts reaction with substituted halo ethyl benzenes and haloethylphenols to make supports for solid phase peptide synthesis YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-08-10 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 (3 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 VCAM1 1724/4885ALDH1A1 1859/4885KDM4E 1096/4885
US-20240343726-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION LATS1, LATS2, YAP1 VCAM1 4597/4885ALDH1A1 3828/4885KDM4E 766/4885
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 VCAM1 3808/4885ALDH1A1 3376/4885KDM4E 1915/4885

“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.