SCHEMBL13332811

SCHEMBL13332811

CC(C)n1c(=O)n(CCCP(=O)(O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
PDE5A O76074 3/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA1 P30542 1/20 0.32
S1PR3 Q99500 1/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
FOXO1 Q12778 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL13332820 0.88 MEN1 (0.40) KMT2AMEN1GAAPDE5ATSHR
SCHEMBL13332840 0.87 KMT2A (0.43) KMT2AMEN1GAAPDE5ATSHR
SCHEMBL13332605 0.86 KMT2A (0.42) KMT2AMEN1GAATSHRCYP3A4
SCHEMBL13332534 0.86 KMT2A (0.42) KMT2AMEN1GAATSHRCYP3A4
SCHEMBL13333048 0.85 MEN1 (0.44) KMT2AMEN1GAAPDE5ATSHR
SCHEMBL13332717 0.85 CYP3A4 (0.42) KMT2AMEN1GAATSHRCYP3A4
SCHEMBL13332721 0.85 CYP3A4 (0.42) KMT2AMEN1GAATSHRCYP3A4
Hydrochloric Acid SCHEMBL3316237 0.84 MEN1 (0.43) KMT2AMEN1GAAPDE5ATSHR
SCHEMBL13332756 0.82 MEN1 (0.42) KMT2AMEN1GAAPDE5ATSHR
SCHEMBL3316748 0.82 KMT2A (0.42) KMT2AMEN1GAAPDE5ATSHR

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
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 EP 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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND P2RY12, P2RY4, P2RY1 KMT2A 4094/4885MEN1 3655/4885GAA 4306/4885

“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.