SCHEMBL23745356

SCHEMBL23745356

CCOC(=O)CC(c1cccc(C)c1)c1cn(C2CCCCC2)c2ccc(-c3ccnn3C)cc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.38
MAPK1 P28482 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NAAA Q02083 1/20 0.34
BRD4 O60885 1/20 0.33
BRD3 Q15059 1/20 0.33
SCD5 Q86SK9 1/20 0.33
DRD2 P14416 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 1/20 0.32
ELANE P08246 1/20 0.32
FAAH O00519 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
SCHEMBL23722059 0.87 NAAA (0.36) CTSAMAPK1HDAC8ALDH1A1NAAA
SCHEMBL22439442 0.84 ELANE (0.39) ALDH1A1MEN1KMT2AELANE
SCHEMBL23745376 0.84 KDM4E (0.43) ALDH1A1MEN1MAPTKMT2A
SCHEMBL28447780 0.84 BRD4 (0.34) CTSAMAPK1HDAC8ALDH1A1NAAA
SCHEMBL22439409 0.84 BRD4 (0.36) CTSAMAPK1HDAC8ALDH1A1NAAA
SCHEMBL23722062 0.83 CTSA (0.34) CTSAMAPK1HDAC8NAAABRD4
SCHEMBL23722049 0.82 MAPK1 (0.33) CTSAMAPK1HDAC8NAAABRD4
SCHEMBL23745659 0.80 KDM4D (0.35) MAPK1BRD4BRD3DRD2MEN1
SCHEMBL23745353 0.79 MPO (0.33) CTSAMAPK1NAAABRD4BRD3
Hydrochloric Acid SCHEMBL23722103 0.79 MPO (0.32) MAPK1NAAABRD4BRD3DRD2

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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 CTSA 664/4885MAPK1 3177/4885HDAC8 1320/4885

“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.