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Sugi Predict / Compounds / SCHEMBL1198947

SCHEMBL1198947

SCHEMBL1198947

O=C(O)c1cnn(Cc2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALKBH1 Q13686 2/20 0.42
▸ EGLN1 Q9GZT9 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ PAICS P22234 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ STK17B O94768 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 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
SCHEMBL1197786 0.85 TEAD2 (0.43) POLBLMNASMN1; SMN2KCNH2KDM4E
SCHEMBL12875720 0.82 HSD17B1 (0.47) L3MBTL1TDP1POLBEGLN1MEN1
SCHEMBL1198441 0.81 MEN1 (0.50) KMOL3MBTL1TDP1POLBEGLN1
SCHEMBL1198479 0.79 MEN1 (0.40) PAICSMEN1KMT2A
SCHEMBL1198720 0.79 MEN1 (0.56) KMOEGLN1MEN1KMT2AKDM4E
SCHEMBL3591944 0.76 HSD17B10 (0.61) L3MBTL1TDP1POLBALKBH1EGLN1
SCHEMBL1198167 0.73 SLC6A2 (0.41) KMOL3MBTL1KMT2ALMNASTK17B
SCHEMBL1198753 0.70 TEAD2 (0.47) SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL12875718 0.70 JMJD6 (0.46) L3MBTL1TDP1HPGDSMN1; SMN2KDM4E
SCHEMBL1198472 0.70 NOTUM (0.51) KMOPOLBMEN1KMT2ALMNA

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 KMO 1743/4885L3MBTL1 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.