SCHEMBL22949550

SCHEMBL22949550

Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5-c5ccccc5)n4)cc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
ALDH1A1 P00352 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
GBA1 P04062 1/20 0.33
DPP4 P27487 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
HPGD P15428 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL22947569 0.95 HPRT1 (0.34) HPRT1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL22948140 0.94 L3MBTL1 (0.36) NPC1RAB9AL3MBTL1ALDH1A1NFKB1
SCHEMBL22947678 0.93 L3MBTL1 (0.39) NPC1RAB9AL3MBTL1ALDH1A1NFKB1
SCHEMBL22949605 0.93 L3MBTL1 (0.39) NPC1RAB9AL3MBTL1ALDH1A1NFKB1
SCHEMBL22949323 0.93 L3MBTL1 (0.39) NPC1RAB9AL3MBTL1ALDH1A1NFKB1
SCHEMBL22948105 0.92 L3MBTL1 (0.36) NPC1RAB9AL3MBTL1ALDH1A1NFKB1
SCHEMBL22947513 0.92 L3MBTL1 (0.36) NPC1RAB9AL3MBTL1ALDH1A1NFKB1
SCHEMBL22949558 0.92 MEN1 (0.35) NPC1RAB9AL3MBTL1ALDH1A1MEN1
SCHEMBL22949561 0.92 L3MBTL1 (0.40) NPC1RAB9AL3MBTL1ALDH1A1NFKB1
SCHEMBL22949564 0.91 HPRT1 (0.36) HPRT1NPC1RAB9AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210036245-A1 HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-02-04 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-20210036245-A1 HETEROAROMATIC COMPOUNDS ETV6, FES, LEF1 HPRT1 2054/4885NPC1 3333/4885RAB9A 2662/4885

“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.