SCHEMBL9922702

SCHEMBL9922702

Cc1c(O)c2ccccc2c(=O)n1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 5/20 0.58
HPGD P15428 2/20 0.58
CYP2C19 P33261 2/20 0.58
HSD17B10 Q99714 2/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
PRNP P04156 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
PABPC1 P11940 1/20 0.42
ERCC1 P07992 1/20 0.42

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
SCHEMBL23798836 0.76 ADORA3 (0.43) ALDH1A1KDM4EHPGDCYP2C19HSD17B10
SCHEMBL2831858 0.76 ATM (0.52) ALDH1A1KDM4EHPGDCYP2C19HSD17B10
SCHEMBL14228631 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDCYP2C19HSD17B10
SCHEMBL862547 0.75 TDP1 (0.54) ALDH1A1KDM4EHSD17B10SMN1; SMN2ADORA3
SCHEMBL8927397 0.75 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDCYP2C19HSD17B10
SCHEMBL1376897 0.74 KMT2A (0.51) KDM4EGAAKMT2ALMNASMN1; SMN2
SCHEMBL9919098 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDCYP2C19HSD17B10
SCHEMBL25003705 0.73 ADORA3 (0.49) ALDH1A1KDM4EHPGDCYP2C19HSD17B10
SCHEMBL10518838 0.71 BRD4 (0.51) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL27834143 0.71 NPSR1 (0.50) ALDH1A1KDM4EHPGDCYP2C19HSD17B10

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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 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 (2 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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 ALDH1A1 1369/4885KDM4E 2302/4885HPGD 1774/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 ALDH1A1 1379/4885KDM4E 2312/4885HPGD 1763/4885

“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.