SCHEMBL6443048

SCHEMBL6443048

O=C(O)c1c(N2CCNCC2)n(C2CC2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.40
MAT2A P31153 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
TOP2A P11388 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TOP2B Q02880 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADRB2 P07550 1/20 0.38
NCF1 P14598 1/20 0.38
REN P00797 1/20 0.38
SLC6A4 P31645 2/20 0.36
DRD2 P14416 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36

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
SCHEMBL11004605 0.81 ALDH1A1 (0.47) CYP1A2CYP2C9TOP2AKDM4EALDH1A1
SCHEMBL30866391 0.80 KDM4E (0.63) CYP1A2CYP2C9TOP2AKDM4EALDH1A1
SCHEMBL9593010 0.78 MAT2A (0.45) MAPK8MAT2ACYP1A2ALDH1A1SLC6A4
SCHEMBL3475236 0.76 ALDH1A1 (0.44) CYP1A2CYP2C9TOP2AKDM4EALDH1A1
SCHEMBL30504558 0.76 ALDH1A1 (0.44) CYP1A2CYP2C9TOP2AKDM4EALDH1A1
SCHEMBL6703755 0.72 KDM4E (0.62) CYP1A2CYP2C9TOP2AKDM4EALDH1A1
SCHEMBL27630020 0.71 ENPP2 (0.52) MAT2ALMNASLC6A4DRD2ENPP2
SCHEMBL8728821 0.71 TOP2A (0.39) CYP1A2CYP2C9TOP2AKDM4EALDH1A1
SCHEMBL27291683 0.71 OPRM1 (0.38) MAT2A
SCHEMBL8992827 0.70 ALDH1A1 (0.42) CYP1A2CYP2C9TOP2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080025-A1 Macrolides PLIVA D.D. (HR) 2005-04-14 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-20050080025-A1 Macrolides IL17A, CYP51A1, IL15 MAPK8 3784/4885MAT2A 3841/4885CYP1A2 243/4885

“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.