SCHEMBL1144083

SCHEMBL1144083

CCOc1ccc(-n2ccc3ccc(Br)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.44
CDK2 P24941 1/20 0.44
MAP3K14 Q99558 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NQO1 P15559 1/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 6/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 2/20 0.37
BACE1 P56817 1/20 0.37
MAPK1 P28482 1/20 0.36
GAA P10253 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
SCHEMBL19781619 0.80 CDC7 (0.41) CDC7CDK2MAP3K14KMT2AROCK1
SCHEMBL15741202 0.75 CDC7 (0.49) CDC7CDK2MAP3K14MAPTNPC1
SCHEMBL15213048 0.73 FGFR1 (0.53) ALDH1A1MAPTSMN1; SMN2
SCHEMBL1607926 0.72 NQO1 (0.52) ALDH1A1NQO1LMNAMAPTMEN1
SCHEMBL1613814 0.72 CDC7 (0.54) CDC7CDK2MAP3K14MAPTROCK1
SCHEMBL6840530 0.70 CYP11B2 (0.56) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL18358 0.70 NQO1 (0.74) ALDH1A1NQO1MAPTMEN1KMT2A
SCHEMBL5780373 0.70 L3MBTL1 (0.49) NQO1LMNAMAPTMEN1KMT2A
SCHEMBL31339915 0.69 MAPT (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL29690879 0.69 ROCK1 (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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
US-8399509-B2 Glucopyranoside derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-19 US disclosed
US-20110028414-A1 GLUCOPYRANOSIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-02-03 US disclosed
EP-2260051-A1 GLUCOPYRANOSIDE DERIVATIVES Merck Patent GmbH (DE) 2010-12-15 EP disclosed
WO-2009124638-A1 GLUCOPYRANOSIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-10-15 WO 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-20110028414-A1 GLUCOPYRANOSIDE DERIVATIVES UGGT1, SLC5A1, SLC5A2 CDC7 3913/4885CDK2 2256/4885MAP3K14 2304/4885

“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.