SCHEMBL5546400

SCHEMBL5546400

O=C(O)C1C(=O)c2cc(N3CCNCC3)c(Cl)cc2N(C2CC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TOP2A P11388 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TOP2B Q02880 1/20 0.38
ADRB1 P08588 3/20 0.33
NOTUM Q6P988 2/20 0.32
HTR6 P50406 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL9840423 0.67 MEN1 (0.35) ALDH1A1TOP2AKDM4ELMNAHPGD
SCHEMBL10809588 0.66 KDM4E (0.77) ALDH1A1TOP2AKDM4ELMNAHPGD
SCHEMBL30748678 0.66 KDM4E (0.74) ALDH1A1TOP2AKDM4ELMNAHPGD
SCHEMBL9717111 0.66 ALDH1A1 (0.48) ALDH1A1TOP2AKDM4ELMNAHPGD
SCHEMBL5549811 0.66 KDM4E (0.74) ALDH1A1TOP2AKDM4ELMNAHPGD
SCHEMBL10809596 0.64 KDM4E (0.58) ALDH1A1TOP2AKDM4ELMNAHPGD
SCHEMBL16329562 0.62 TOP2A (0.55) ALDH1A1TOP2AKDM4ELMNAHPGD
SCHEMBL5546394 0.62 HSP90AA1 (0.34) ALDH1A1TOP2AKDM4ELMNAHPGD
SCHEMBL2307303 0.62 ADRB1 (0.50) ALDH1A1KDM4EHSD17B10ADRB1HTR6
SCHEMBL10920987 0.61 KDM4E (0.53) ALDH1A1TOP2AKDM4ELMNAHPGD

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-1453846-B1 14 OR 15 MEMBERED MACROLIDES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2007-05-16 EP disclosed
US-7202221-B2 Macrolides GLAXO GROUP LIMITED (GB) 2007-04-10 US disclosed
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 ALDH1A1 2889/4885TOP2A 2084/4885KDM4E 2733/4885

“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.