SCHEMBL10292518

SCHEMBL10292518

CCc1nc2c(c(OC(C)C)c(C(=O)NCC3CCCO3)n2C)c(=O)n1Cc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HIF1A Q16665 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
SCHEMBL10292459 0.84 CACNA1G (0.45) KMT2AALDH1A1SMN1; SMN2
SCHEMBL11990856 0.84 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL10292545 0.84 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL10004597 0.83 F10 (0.42) KMT2AALDH1A1HSD17B10HPGD
SCHEMBL10292544 0.83 KMT2A (0.42) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL11990823 0.83 KMT2A (0.42) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL10293228 0.83 KMT2A (0.40) KMT2AALDH1A1HSD17B10HPGD
SCHEMBL10292546 0.83 SMN1; SMN2 (0.42) KMT2AALDH1A1HSD17B10HPGDGAA
SCHEMBL10292992 0.83 BRD4 (0.43) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL10292521 0.83 KMT2A (0.42) KMT2AALDH1A1HSD17B10HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — 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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH KMT2A 423/4885MEN1 335/4885ALDH1A1 321/4885

“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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