SCHEMBL10314213

SCHEMBL10314213

CCOC(=O)Cn1c(=O)c2c(OC)c(C(=O)N(C)CCN(CC)CC)sc2c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL1060995 0.91 RXFP1 (0.42) KDM4EALDH1A1MEN1KMT2ARXFP1
SCHEMBL1057152 0.88 RXFP1 (0.39) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL10314203 0.88 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2ARXFP1SMN1; SMN2
SCHEMBL12932764 0.88 RXFP1 (0.41) KDM4EMEN1KMT2ARXFP1NPSR1
Hydrochloric Acid SCHEMBL1064006 0.87 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2ARXFP1SMN1; SMN2
SCHEMBL10314315 0.87 PGR (0.42) KDM4EALDH1A1MEN1KMT2ARXFP1
SCHEMBL1061784 0.86 MDM2 (0.43) MEN1KMT2ARXFP1SMN1; SMN2MAPT
SCHEMBL12932762 0.86 LMNA (0.41) KDM4EALDH1A1MEN1KMT2ATDP1
Trifluoroacetic Acid SCHEMBL1059753 0.86 SMN1; SMN2 (0.40) ALDH1A1MEN1KMT2ARXFP1SMN1; SMN2
SCHEMBL1062384 0.85 ADORA2B (0.42) MEN1KMT2ARXFP1NPSR1MAPT

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-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KDM4E 464/4885RAB9A 2411/4885HTT 1613/4885

“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.