SCHEMBL1198960

SCHEMBL1198960

O=C(O)c1cnn(Cc2nc(-c3cc(Cl)cc(Cl)c3)cs2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
PTGS2 P35354 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KMO O15229 1/20 0.36
EGLN1 Q9GZT9 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL12875895 0.92 L3MBTL1 (0.39) HSD17B10L3MBTL1TDP1POLBRAB9A
SCHEMBL1198726 0.90 MEN1 (0.41) HSD17B10L3MBTL1TDP1POLBRAB9A
SCHEMBL1199316 0.89 RAB9A (0.53) HSD17B10L3MBTL1TDP1POLBRAB9A
SCHEMBL1198214 0.89 EGLN1 (0.47) HSD17B10L3MBTL1TDP1POLBRAB9A
SCHEMBL1198720 0.86 MEN1 (0.56) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL1199123 0.85 GRM2 (0.41) L3MBTL1TDP1RAB9ANPC1KDM4E
SCHEMBL1198915 0.84 RAB9A (0.51) L3MBTL1POLBRAB9ANPC1KDM4E
SCHEMBL1198371 0.84 L3MBTL1 (0.44) HSD17B10L3MBTL1TDP1POLBRAB9A
SCHEMBL12875784 0.84 ABL1 (0.51) HSD17B10L3MBTL1POLBRAB9ANPC1
SCHEMBL12875901 0.84 KDM4E (0.45) HSD17B10L3MBTL1POLBRAB9ANPC1

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 7 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-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
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
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 EP 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 HSD17B10 415/4885L3MBTL1 4726/4885TDP1 1974/4885

“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.