SCHEMBL7229486

SCHEMBL7229486

CC(=O)c1cc(C(C)=O)cc(-c2nc(N)nc(C)c2N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHFR P00374 2/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GPR68 Q15743 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
CA5A P35218 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
CREBBP Q92793 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL8590546 0.84 DHFR (0.54) TP53HSD17B10DHFRKMT2AKDM4E
SCHEMBL8592527 0.83 MAPT (0.47) TP53HSD17B10DHFRKMT2AKDM4E
Hydrochloric Acid SCHEMBL8590325 0.74 KDM4E (0.32) TP53HSD17B10DHFRKMT2AKDM4E
Iodide SCHEMBL8591609 0.74 KDM4E (0.32) TP53HSD17B10DHFRKMT2AKDM4E
SCHEMBL7081921 0.72 HSP90AA1 (0.36) TP53DHFRKMT2AKDM4EMEN1
SCHEMBL669554 0.66 CA5A (0.67) KMT2ASMN1; SMN2CA5AMEN1NPC1
SCHEMBL30595010 0.66 BRD4 (0.54) TP53HSD17B10KMT2AKDM4ESMN1; SMN2
SCHEMBL12311026 0.65 CA5A (0.48) TP53KDM4ESMN1; SMN2CA5ATDP1
SCHEMBL15835579 0.65 DHODH (0.48) TP53HSD17B10KDM4ESMN1; SMN2CA5A
SCHEMBL1976289 0.65 CA5A (0.52) KMT2AKDM4ECA5ATDP1CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649797-B2 Contacting protein with a compound that is capable of stable reversible binding with basic amino acid residues of nuclear localization signal of protein for inactivating a nuclear localization signal of a protein THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2003-11-18 US disclosed
US-20020077271-A1 Compounds and methods of use to treat infectious diseases FERRING BV (NL) 2002-06-20 US disclosed
EP-0865434-A1 COMPOUNDS AND METHODS OF USE TO TREAT INFECTIOUS DISEASES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-09-23 EP disclosed
EP-0865434-A4 1998-09-23 EP disclosed
WO-1996020932-A1 COMPOUNDS AND METHODS OF USE TO TREAT INFECTIOUS DISEASES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1996-07-11 WO 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-20020077271-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 TP53 822/4885HSD17B10 2601/4885DHFR 291/4885

“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.