SCHEMBL12876136

SCHEMBL12876136

Cc1cc(OCc2ccc(F)cc2F)cc(-c2csc(Cn3cc(C(=O)O)cn3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 8/20 0.50
KLKB1 P03952 1/20 0.39
MAOB P27338 1/20 0.39
KDM5A P29375 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
PTGER1 P34995 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PPARA Q07869 2/20 0.36
POLB P06746 1/20 0.35
GLP1R P43220 1/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL12876134 0.92 GRM2 (0.41) ALKBH1KLKB1MAOBL3MBTL1NPC1
SCHEMBL1197965 0.89 ALKBH1 (0.49) ALKBH1KLKB1MAOBKDM5AKDM4C
SCHEMBL2861439 0.89 ALKBH1 (0.51) ALKBH1MAOBKDM5AKDM4CKDM5B
SCHEMBL1199018 0.83 ALDH1A1 (0.41) ALKBH1KLKB1MAOBPTGER1L3MBTL1
SCHEMBL12876017 0.82 MEN1 (0.41) ALKBH1KLKB1L3MBTL1NPC1RAB9A
SCHEMBL12875802 0.82 L3MBTL1 (0.39) ALKBH1KLKB1L3MBTL1NPC1CASP3
SCHEMBL12876129 0.82 KMT2A (0.45) ALKBH1KLKB1KDM4CPPARAPPARD
SCHEMBL2864450 0.80 ALKBH1 (0.50) ALKBH1KDM5AKDM5BPPARAPPARD
SCHEMBL12875995 0.80 ALKBH1 (0.48) ALKBH1KLKB1L3MBTL1PPARAPPARD
SCHEMBL2868652 0.78 ALKBH1 (0.45) ALKBH1KDM5AKDM4CKDM5BL3MBTL1

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 3765/4885MAOB 1137/4885

“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.