SCHEMBL23116402

SCHEMBL23116402

Cc1cn(C)c(=O)c2c(C(=O)NC3CCC(OCc4ccccc4)CC3)cn(C)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
BRD4 O60885 2/20 0.43
POLB P06746 1/20 0.42
CNR2 P34972 7/20 0.42
CNR1 P21554 6/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SGMS2 Q8NHU3 1/20 0.41
TRIM24 O15164 1/20 0.41
BRD1 O95696 1/20 0.41
CCL2 P13500 1/20 0.41
TAF1 P21675 1/20 0.41
BRD2 P25440 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
BRPF1 P55201 1/20 0.41
EP300 Q09472 1/20 0.41
BPTF Q12830 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL22729445 1.00 EPHX2 (0.44) EPHX2BRD4POLBCNR2CNR1
SCHEMBL22729491 0.89 ALDH1A1 (0.41) BRD4POLBCNR2CNR1ALDH1A1
SCHEMBL22729712 0.86 EPHX2 (0.39) EPHX2BRD4POLBCNR2CNR1
SCHEMBL22729709 0.86 EPHX2 (0.39) EPHX2BRD4POLBCNR2CNR1
SCHEMBL22729822 0.84 ALDH1A1 (0.46) BRD4CNR2ALDH1A1TAF1CECR2
SCHEMBL22729519 0.83 CNR2 (0.40) CNR2CNR1ALDH1A1
SCHEMBL22729396 0.83 CNR2 (0.40) CNR2CNR1ALDH1A1
SCHEMBL22729845 0.83 POLB (0.64) POLBALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL22729395 0.83 CNR2 (0.40) CNR2CNR1ALDH1A1
SCHEMBL22729682 0.83 LIPG (0.53) ALDH1A1TAF1CECR2BRD9

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-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC EPHX2 2093/4885BRD4 1170/4885POLB 3952/4885

“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.