SCHEMBL13312019

SCHEMBL13312019

Cc1c(CO)ccc2c1NCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.37
SLC13A5 Q86YT5 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PARP1 P09874 4/20 0.30

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
SCHEMBL10157943 0.85 SRC (0.38) SRCSLC13A5KDM4EMAPTALDH1A1
SCHEMBL13709190 0.80 SRC (0.35) SRCKDM4EMAPTALDH1A1LMNA
SCHEMBL3744568 0.77 SRC (0.38) SRCKDM4EMAPTALDH1A1LMNA
SCHEMBL30487798 0.76 SRC (0.49) SRCSLC13A5KDM4EMAPTADORA2A
SCHEMBL9012495 0.76 SRC (0.49) SRCSLC13A5KDM4EMAPTADORA2A
SCHEMBL9510659 0.74 PNMT (0.42) SRCKDM4EMAPTALDH1A1LMNA
SCHEMBL10909715 0.74 SRC (0.36) SRCKDM4EMAPTALDH1A1LMNA
SCHEMBL20904510 0.74 SRC (0.36) SRCKDM4EMAPTALDH1A1LMNA
SCHEMBL12533697 0.74 SRC (0.36) SRCKDM4EMAPTALDH1A1LMNA
SCHEMBL3502946 0.73 TDP1 (0.41) SRCLMNATDP1

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-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

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 SRC 3054/4885SLC13A5 269/4885KDM4E 2414/4885

“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.