SCHEMBL10314569

SCHEMBL10314569

CCOCCOc1c(C)sc2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL10314547 0.91 MEN1 (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL1062476 0.90 RAB9A (0.42) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1064168 0.89 KMT2A (0.43) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL12962918 0.88 RAB9A (0.41) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1058637 0.87 RAB9A (0.43) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1062495 0.86 GAA (0.41) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1062226 0.84 ADORA2B (0.39) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1062094 0.84 ALDH1A1 (0.45) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL10314446 0.83 KDM4E (0.47) RAB9ASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL1062712 0.83 ALDH1A1 (0.39) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 2411/4885KMT2A 386/4885MEN1 2094/4885

“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.