SCHEMBL3500989

SCHEMBL3500989

COC(=O)c1ccc(C)c2c1CCCN2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.44
KDM4E B2RXH2 5/20 0.37
GAA P10253 4/20 0.37
GLA P06280 3/20 0.37
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 5/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 3/20 0.36
NR4A2 P43354 1/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 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
SCHEMBL13312001 0.85 PARP1 (0.43) PARP1KDM4EGAAGLAALDH1A1
SCHEMBL6970151 0.83 PARP1 (0.39) PARP1KDM4EGAAGLAALDH1A1
SCHEMBL12599964 0.80 KDM4E (0.38) PARP1KDM4EGAAGLAALDH1A1
SCHEMBL5328082 0.79 PARP1 (0.53) PARP1KDM4EGAAGLA
SCHEMBL3500046 0.78 SRC (0.40) PARP1KDM4EGAAGLAALDH1A1
SCHEMBL19125964 0.77 RXRA (0.42) KDM4EGAAGLAALDH1A1HSD17B10
SCHEMBL14774736 0.76 ALOX5 (0.43) PARP1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL30832879 0.76 ALOX5 (0.43) PARP1KDM4EALDH1A1HSD17B10LMNA
SCHEMBL31467009 0.75 PARP1 (0.40) PARP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL26984319 0.75 PARP1 (0.40) PARP1KDM4EALDH1A1HSD17B10HPGD

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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 PARP1 4730/4885KDM4E 2414/4885GAA 1254/4885

“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.