SCHEMBL12316629

SCHEMBL12316629

CC(=O)Nc1cc2c(cc1C)C(=O)CCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.49
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 3/20 0.44
MAOA P21397 1/20 0.44
CASP1 P29466 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRM5 P41594 3/20 0.38
MAPT P10636 2/20 0.38
BAZ2B Q9UIF8 1/20 0.37
MAPK14 Q16539 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL12316641 0.84 MAOB (0.40) KDM4EHSD17B10ALDH1A1ALOX15MEN1
SCHEMBL12316753 0.83 GAA (0.47) KDM4EALDH1A1KMT2AMAOBCYP1A2
SCHEMBL12316670 0.82 MAOB (0.45) ALDH1A1KMT2AMAOBMAOANPSR1
SCHEMBL12316711 0.80 RAB9A (0.46) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL12316796 0.80 HDAC1 (0.43) KDM4EALDH1A1NPSR1MAPTMAPK14
SCHEMBL30558386 0.78 MAOB (0.53) ALDH1A1KMT2AMAOBMAOANPSR1
SCHEMBL11001293 0.78 MAOB (0.53) ALDH1A1KMT2AMAOBMAOANPSR1
SCHEMBL10415533 0.76 GRM5 (0.46) KDM4EHSD17B10ALDH1A1ALOX15POLB
SCHEMBL12316645 0.76 HDAC8 (0.42) KDM4EALDH1A1MAOBMAOAGRM5
SCHEMBL12316662 0.76 MAOB (0.40) ALDH1A1MAOBMAOANPSR1GRM5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 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-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 KDM4E 4733/4885HSD17B10 2211/4885ALDH1A1 516/4885

“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.