SCHEMBL12875908

SCHEMBL12875908

Cc1cc(Br)cc(-c2csc(Cn3cc(C(=O)O)cn3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
AKT1 P31749 1/20 0.36
SIRT5 Q9NXA8 1/20 0.35
ALKBH1 Q13686 1/20 0.35
KLKB1 P03952 3/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34

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
SCHEMBL12875909 0.88 GRM2 (0.39) L3MBTL1RAB9AALDH1A1LMNAKDM4E
SCHEMBL12875895 0.88 L3MBTL1 (0.39) L3MBTL1RAB9AALDH1A1LMNAKDM4E
SCHEMBL12875802 0.88 L3MBTL1 (0.39) L3MBTL1RAB9AALDH1A1LMNAKDM4E
SCHEMBL12875968 0.87 L3MBTL1 (0.41) L3MBTL1RAB9AALDH1A1KDM4EGAA
SCHEMBL12876017 0.86 MEN1 (0.41) L3MBTL1RAB9AALDH1A1LMNAKDM4E
SCHEMBL1198657 0.85 MEN1 (0.41) L3MBTL1RAB9AALDH1A1LMNAKDM4E
SCHEMBL12875918 0.85 SIRT5 (0.40) L3MBTL1RAB9AALDH1A1KDM4EGAA
SCHEMBL12875728 0.85 ALDH1A1 (0.41) L3MBTL1RAB9AALDH1A1KDM4EGAA
SCHEMBL12876399 0.85 RAB9A (0.53) L3MBTL1RAB9AALDH1A1LMNAKDM4E
SCHEMBL12875682 0.84 SIRT5 (0.44) L3MBTL1RAB9AALDH1A1KDM4EGAA

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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A L3MBTL1 4726/4885RAB9A 2507/4885ALDH1A1 1037/4885

“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.