SCHEMBL10314620

SCHEMBL10314620

CN(C)CC(C)(C)CNC(=O)c1c(O)c2c(=O)n(CC(=O)c3ccccc3)c3ccccc3c2n1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PGR P06401 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
SCHEMBL1061538 0.89 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL1061957 0.88 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL12962917 0.81 NPC1 (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL1063432 0.80 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL1061747 0.78 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL13708842 0.78 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL1062395 0.77 KDM4E (0.51) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL1062301 0.76 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1062189 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1057564 0.73 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1

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 MEN1 2094/4885KMT2A 386/4885NPC1 568/4885

“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.

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