SCHEMBL3312189

SCHEMBL3312189

O=C(O)CCCn1c(=O)c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 6/20 0.39
HSD17B10 Q99714 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
UBE2N P61088 1/20 0.37
FOXO1 Q12778 1/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL13332527 1.00 KMT2A (0.43) KMT2AGAAMEN1CYP3A4CYP2C19
SCHEMBL13332528 0.99 KMT2A (0.42) KMT2AGAAMEN1CYP3A4CYP2C19
SCHEMBL13332993 0.97 CYP3A4 (0.43) KMT2AGAAMEN1CYP3A4CYP2C19
SCHEMBL13332498 0.97 CYP3A4 (0.43) KMT2AGAAMEN1CYP3A4CYP2C19
SCHEMBL13332608 0.97 CYP3A4 (0.43) KMT2AGAAMEN1CYP3A4CYP2C19
SCHEMBL13332609 0.94 KMT2A (0.45) KMT2AGAAMEN1CYP3A4CYP2C19
SCHEMBL3316734 0.90 KMT2A (0.42) KMT2AGAAMEN1CYP3A4CYP2C19
SCHEMBL13332764 0.90 TNF (0.44) KMT2AGAAMEN1CYP3A4CYP2C19
SCHEMBL13332652 0.89 MEN1 (0.43) KMT2AGAAMEN1CYP3A4CYP2C19
SCHEMBL13332855 0.89 KMT2A (0.41) KMT2AGAAMEN1CYP3A4CYP2C19

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 6 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 claimed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 EP claimed
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
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 4094/4885GAA 4306/4885MEN1 3655/4885

“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.