SCHEMBL3580770

SCHEMBL3580770

COC(=O)Cn1c(CO)nc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 2/20 0.62
NPC1 O15118 1/20 0.62
MAPT P10636 1/20 0.58
KMT2A Q03164 3/20 0.57
LMNA P02545 3/20 0.57
MEN1 O00255 1/20 0.57
NPSR1 Q6W5P4 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
MAPK1 P28482 1/20 0.54
GAA P10253 1/20 0.54
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52

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
SCHEMBL15643536 0.85 MAPT (0.65) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL12495433 0.82 ALDH1A1 (0.72) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL3588204 0.82 APEX1 (0.75) KDM4EALDH1A1HSD17B10NPC1KMT2A
SCHEMBL5121884 0.81 KDM4E (0.67) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL8268180 0.81 KDM4E (0.67) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL15643239 0.81 TSPO (0.58) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL31189925 0.79 SMN1; SMN2 (0.65) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL15474489 0.79 KDM4E (0.72) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL12410831 0.79 KDM4E (0.64) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL15643214 0.78 DRD2 (0.55) KDM4EALDH1A1HSD17B10NPC1MAPT

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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 KDM4E 3447/4885ALDH1A1 971/4885HSD17B10 1901/4885

“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.