SCHEMBL12875895

SCHEMBL12875895

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGS2 P35354 2/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 5/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
PPARD Q03181 1/20 0.36
AKT1 P31749 1/20 0.36
DHODH Q02127 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
ALKBH1 Q13686 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
SCHEMBL1198960 0.92 HSD17B10 (0.42) L3MBTL1HSD17B10PTGS2POLBTDP1
SCHEMBL12875888 0.88 GRM2 (0.39) L3MBTL1PTGS2TDP1RAB9AKDM4E
SCHEMBL12875908 0.88 L3MBTL1 (0.39) L3MBTL1PTGS2POLBRAB9AKDM4E
SCHEMBL12875802 0.88 L3MBTL1 (0.39) L3MBTL1POLBRAB9AKDM4ENPC1
SCHEMBL12875968 0.87 L3MBTL1 (0.41) L3MBTL1HSD17B10POLBTDP1RAB9A
SCHEMBL12876017 0.86 MEN1 (0.41) L3MBTL1PTGS2POLBTDP1RAB9A
SCHEMBL12875918 0.85 SIRT5 (0.40) L3MBTL1POLBTDP1RAB9AKDM4E
SCHEMBL1198726 0.85 MEN1 (0.41) L3MBTL1HSD17B10POLBTDP1RAB9A
SCHEMBL12875728 0.85 ALDH1A1 (0.41) L3MBTL1POLBRAB9AKDM4EMEN1
SCHEMBL1199316 0.85 RAB9A (0.53) L3MBTL1HSD17B10PTGS2POLBTDP1

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 4726/4885HSD17B10 415/4885PTGS2 55/4885

“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.