SCHEMBL12875995

SCHEMBL12875995

Cc1cc(COc2ccccc2)cc(-c2csc(Cn3cc(C(=O)O)cn3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 8/20 0.48
KLKB1 P03952 2/20 0.43
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGLN1 Q9GZT9 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP10 Q53GL7 1/20 0.38

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
SCHEMBL12875991 0.92 MAPT (0.49) ALKBH1KLKB1PPARDPPARAMAPT
SCHEMBL12875981 0.87 KLKB1 (0.41) ALKBH1KLKB1MAPTTDP1L3MBTL1
SCHEMBL1198715 0.87 ALDH1A1 (0.42) ALKBH1KLKB1PPARDPPARAL3MBTL1
SCHEMBL12876129 0.86 KMT2A (0.45) ALKBH1KLKB1PPARDPPARAKMT2A
SCHEMBL12875968 0.85 L3MBTL1 (0.41) ALKBH1KLKB1TDP1L3MBTL1EGLN1
SCHEMBL1198990 0.85 EGLN1 (0.52) ALKBH1PPARDPPARAEGLN1
SCHEMBL12876017 0.82 MEN1 (0.41) ALKBH1KLKB1PPARDPPARAMAPT
SCHEMBL12876201 0.82 KLKB1 (0.40) KLKB1MAPTL3MBTL1KMT2A
SCHEMBL2857263 0.81 MAPT (0.46) KLKB1PPARDPPARAMAPTTDP1
SCHEMBL12876294 0.81 RAB9A (0.36) ALKBH1KLKB1L3MBTL1EGLN1KDM4E

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 ALKBH1 1916/4885KLKB1 3765/4885PPARD 288/4885

“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.