SCHEMBL21180765

SCHEMBL21180765

CCNC(=O)c1cc(C(C)C)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
BRD4 O60885 1/20 0.41
ALOX15 P16050 1/20 0.39
CREBBP Q92793 1/20 0.38
PKM P14618 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
MCL1 Q07820 1/20 0.36
HPGD P15428 1/20 0.36
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL23952006 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EGAABRD4CREBBP
SCHEMBL25567051 0.81 CREBBP (0.58) ALDH1A1KDM4EGAABRD4ALOX15
SCHEMBL163704 0.77 BRD4 (0.44) ALDH1A1KDM4EGAABRD4ALOX15
SCHEMBL13753894 0.77 BRD4 (0.44) ALDH1A1KDM4EGAABRD4ALOX15
SCHEMBL18665439 0.75 CREBBP (0.37) ALDH1A1KDM4EGAABRD4CREBBP
SCHEMBL1969597 0.74 TDP1 (0.51) GAAALOX15PKMRAB9ASMN1; SMN2
SCHEMBL1969064 0.74 ALDH1A1 (0.55) ALDH1A1GAALMNACYP1A2
SCHEMBL18415350 0.73 SMN1; SMN2 (0.49) GAAALOX15RAB9ASMN1; SMN2L3MBTL1
SCHEMBL20094767 0.72 DAO (0.49) ALDH1A1KDM4EGAABRD4ALOX15
SCHEMBL25782683 0.69 ALOX15 (0.44) KDM4EGAAALOX15L3MBTL1LMNA

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
WO-2023091993-A1 WATER-SOLUBLE SALTS OF DNA BINDING AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-05-25 WO disclosed
US-10358439-B2 DNA binding agents with a minor groove binding tail BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-07-23 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-10358439-B2 DNA binding agents with a minor groove binding tail TOP2B, TOP2A, TOP1 ALDH1A1 2807/4885KDM4E 4024/4885GAA 1285/4885

“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.