SCHEMBL2775003

SCHEMBL2775003

CCc1cc2c(=O)n(Cc3ccc(OC)cc3OC)c(=O)[nH]c2s1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.49
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 3/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
APLNR P35414 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE9A O76083 1/20 0.39

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
SCHEMBL2774957 0.93 KDM4E (0.47) AGTR1KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL2776159 0.84 KDM4E (0.44) AGTR1KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL19577097 0.77 HSD17B10 (0.62) KDM4EHSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL2772610 0.75 HPGD (0.56) AGTR1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL18010222 0.75 ALDH1A1 (0.43) KDM4EALDH1A1MAPTPOLBTDP1
SCHEMBL18031737 0.75 ALDH1A1 (0.41) KDM4EALDH1A1MAPTPOLBAPLNR
SCHEMBL2774497 0.74 HTT (0.52) KDM4EHSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL27202716 0.73 KDM4E (0.59) KDM4EHSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL2773547 0.73 ALDH1A1 (0.52) KDM4EHSD17B10ALDH1A1SMN1; SMN2LMNA
SCHEMBL18887721 0.72 ALDH1A1 (0.39) KDM4EHSD17B10ALDH1A1MAPTLMNA

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 AGTR1 99/4885KDM4E 1815/4885HSD17B10 81/4885

“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.