SCHEMBL2774497

SCHEMBL2774497

CCc1cc2c(=O)n(CCc3ccc(OC)c(OC)c3)c(=O)[nH]c2s1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 3/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 3/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL2775047 0.83 ADORA2B (0.54) HTTMAPTSMN1; SMN2HSD17B10POLB
SCHEMBL2775229 0.82 AGTR1 (0.51) HTTNPSR1MAPTPOLBALDH1A1
SCHEMBL2773547 0.78 ALDH1A1 (0.52) HTTSMN1; SMN2KDM4EHSD17B10POLB
SCHEMBL2777323 0.76 POLB (0.52) HTTPOLBALDH1A1GAALMNA
SCHEMBL2773982 0.76 ADORA2B (0.52) HTTMAPTSMN1; SMN2HSD17B10POLB
SCHEMBL2774914 0.75 ALDH1A1 (0.47) HTTMAPTKDM4EHSD17B10POLB
SCHEMBL2774258 0.75 ALDH1A1 (0.54) HTTSMN1; SMN2KDM4EHSD17B10POLB
SCHEMBL15289655 0.75 MAPT (0.62) HTTNPSR1MAPTSMN1; SMN2KDM4E
SCHEMBL2775003 0.74 AGTR1 (0.49) HTTNPSR1MAPTSMN1; SMN2KDM4E
SCHEMBL2772610 0.73 HPGD (0.56) HTTSMN1; SMN2KDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501750-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
EP-2253630-A1 Heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
EP-2151440-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-02-10 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-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF PCSK9, APOB, REN HTT 55/4885NPSR1 581/4885MAPT 399/4885

“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.