SCHEMBL3316748

SCHEMBL3316748

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
S1PR3 Q99500 4/20 0.37
PDE5A O76074 3/20 0.36
FOXO1 Q12778 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL13333033 0.88 EPHX1 (0.39) KMT2AMEN1GAAS1PR3ALDH1A1
SCHEMBL13332534 0.87 KMT2A (0.42) KMT2AMEN1GAAFOXO1ALDH1A1
SCHEMBL13332756 0.87 MEN1 (0.42) KMT2AMEN1GAAS1PR3PDE5A
SCHEMBL13332605 0.87 KMT2A (0.42) KMT2AMEN1GAAFOXO1ALDH1A1
SCHEMBL3311720 0.87 MEN1 (0.43) KMT2AMEN1GAAPDE5AFOXO1
SCHEMBL13332752 0.86 MEN1 (0.45) KMT2AMEN1GAAS1PR3PDE5A
SCHEMBL13333048 0.86 MEN1 (0.44) KMT2AMEN1GAAPDE5AFOXO1
SCHEMBL13332717 0.86 CYP3A4 (0.42) KMT2AMEN1GAAFOXO1ALDH1A1
SCHEMBL13332721 0.86 CYP3A4 (0.42) KMT2AMEN1GAAFOXO1ALDH1A1
Hydrochloric Acid SCHEMBL3316237 0.85 MEN1 (0.43) KMT2AMEN1GAAPDE5AFOXO1

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-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.