SCHEMBL12875784

SCHEMBL12875784

Cc1cc(-c2csc(Cn3cc(C(=O)O)cn3)n2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.51
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
XIAP P98170 1/20 0.44
EIF4E P06730 6/20 0.43
KCNH2 Q12809 2/20 0.41
TRPA1 O75762 1/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
GRIN2B Q13224 1/20 0.39
CRHBP P24387 1/20 0.39
MC4R P32245 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12875901 0.92 KDM4E (0.45) ABL1KDM4ERAB9AMEN1KMT2A
SCHEMBL1198720 0.90 MEN1 (0.56) ABL1KDM4ERAB9AMEN1KMT2A
SCHEMBL12875776 0.88 ABL1 (0.45) ABL1KDM4ERAB9AMEN1KMT2A
SCHEMBL12875789 0.88 HPGDS (0.46) ABL1KDM4ERAB9AMEN1KMT2A
SCHEMBL1199026 0.85 MEN1 (0.46) KDM4ERAB9AMEN1KMT2ANPC1
SCHEMBL1199316 0.85 RAB9A (0.53) ABL1KDM4ERAB9AMEN1KMT2A
SCHEMBL12876399 0.85 RAB9A (0.53) KDM4ERAB9ANPC1POLBGAA
SCHEMBL12875682 0.84 SIRT5 (0.44) KDM4ERAB9AMEN1KMT2ANPC1
SCHEMBL1198214 0.84 EGLN1 (0.47) ABL1KDM4ERAB9AMEN1KMT2A
SCHEMBL1198960 0.84 HSD17B10 (0.42) KDM4ERAB9AMEN1KMT2ANPC1

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 ABL1 3640/4885KDM4E 1877/4885RAB9A 2507/4885

“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.