SCHEMBL3309432

SCHEMBL3309432

O=C(O)C=CCCCn1c(=O)c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
FOXO1 Q12778 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE5A O76074 2/20 0.33
OPRL1 P41146 4/20 0.33
OPRM1 P35372 3/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
PIK3CA P42336 1/20 0.33
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL3309420 1.00 KMT2A (0.41) KMT2AMEN1GAAFOXO1ALDH1A1
SCHEMBL13332551 0.89 KMT2A (0.40) KMT2AMEN1GAAALDH1A1TSHR
SCHEMBL3312432 0.89 MEN1 (0.43) KMT2AMEN1GAAFOXO1ALDH1A1
SCHEMBL3312427 0.89 MEN1 (0.43) KMT2AMEN1GAAFOXO1ALDH1A1
SCHEMBL3307943 0.87 MEN1 (0.40) KMT2AMEN1GAAALDH1A1TSHR
SCHEMBL3312189 0.86 KMT2A (0.43) KMT2AMEN1GAAFOXO1ALDH1A1
SCHEMBL13332527 0.86 KMT2A (0.43) KMT2AMEN1GAAFOXO1ALDH1A1
SCHEMBL13332608 0.85 CYP3A4 (0.43) KMT2AMEN1GAAFOXO1ALDH1A1
SCHEMBL13332993 0.85 CYP3A4 (0.43) KMT2AMEN1GAAFOXO1ALDH1A1
SCHEMBL13332498 0.85 CYP3A4 (0.43) KMT2AMEN1GAAFOXO1ALDH1A1

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.