SCHEMBL4064668

SCHEMBL4064668

O=C(O)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.72
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 3/20 0.56
LMNA P02545 1/20 0.56
RAF1 P04049 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
GFER P55789 1/20 0.56
PAX8 Q06710 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
CASP6 P55212 1/20 0.51

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
SCHEMBL4064663 1.00 VCAM1 (0.72) VCAM1ALDH1A1MEN1KMT2AKDM4E
4-Chloro-3-Nitrobenzoic Acid SCHEMBL6101 0.86 VCAM1 (0.77) VCAM1ALDH1A1MEN1KMT2AKDM4E
4-Chloro-3-Nitrobenzoic Acid SCHEMBL30234086 0.86 VCAM1 (0.77) VCAM1ALDH1A1MEN1KMT2AKDM4E
4-Chloro-3-Nitrobenzoic Acid SCHEMBL8028245 0.84 VCAM1 (0.74) VCAM1ALDH1A1MEN1KMT2AKDM4E
4-Chloro-3-Nitrobenzoic Acid SCHEMBL10608939 0.84 VCAM1 (0.74) VCAM1ALDH1A1MEN1KMT2AKDM4E
4-Chloro-3-Nitrobenzoic Acid SCHEMBL28165768 0.84 VCAM1 (0.74) VCAM1ALDH1A1MEN1KMT2AKDM4E
4-Chloro-3-Nitrobenzoic Acid SCHEMBL10608947 0.84 VCAM1 (0.74) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1258621 0.84 VCAM1 (1.00) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8625340 0.82 VCAM1 (0.96) VCAM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL922714 0.82 VCAM1 (0.77) VCAM1ALDH1A1MEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666473-B1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-01-02 EP disclosed
US-7601712-B2 Such as (1)-2-(4-chloro-3-((2-chloro-4-(((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ly)methoxy)benzoyl)amino)phenyl)-2-methylpropanoic acid; prostaglandin receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-13 US disclosed
US-20070004716-A1 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-04 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-20070004716-A1 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient GPR17, CYSLTR1, KIT VCAM1 94/4885ALDH1A1 368/4885MEN1 4795/4885

“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.