SCHEMBL10173243

SCHEMBL10173243

CCN(CC)CCNc1ccc(/C=C/C=O)cc1NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 1/20 0.36
CXCR2 P25025 1/20 0.34
OPRD1 P41143 1/20 0.33
TOP2A P11388 1/20 0.32
CASP3 P42574 1/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL8248504 0.91 KMT2A (0.39) KMT2AKDM4EALDH1A1EPHX2CXCR2
SCHEMBL842298 0.90 KMT2A (0.37) KMT2AKDM4EALDH1A1EPHX2CXCR2
SCHEMBL10173246 0.72 HDAC1 (0.48) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL27906755 0.70 KMT2A (0.52) KMT2AALDH1A1EPHX2CXCR2
SCHEMBL22698747 0.69 KMT2A (0.42) KMT2AKDM4EALDH1A1EPHX2
SCHEMBL1252591 0.69 KMT2A (0.47) KMT2AEPHX2CXCR2OPRD1CASP3
SCHEMBL14864719 0.69 KMT2A (0.47) KMT2AEPHX2CXCR2OPRD1CASP3
SCHEMBL13259628 0.68 KMT2A (0.56) KMT2AEPHX2CXCR2OPRD1CASP3
SCHEMBL19450607 0.68 KMT2A (0.64) KMT2AEPHX2OPRD1CASP3
SCHEMBL27924818 0.68 KMT2A (0.51) KMT2AALDH1A1EPHX2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 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-20090048300-A1 Heterocyclic Compounds HDAC1, HDAC3, HDAC11 KMT2A 161/4885KDM4E 562/4885ALDH1A1 343/4885

“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.