SCHEMBL689253

SCHEMBL689253

O=c1[nH]nc(CSCc2ccc(Br)cc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.52
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 4/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAOB P27338 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ RAB9A P51151 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ MAOA P21397 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
SCHEMBL4049551 0.83 TSHR (0.63) TSHRKMT2ALMNANPC1HSD17B10
SCHEMBL9344493 0.74 MEN1 (0.61) KMT2AMEN1LMNAHSD17B10MAOB
SCHEMBL689103 0.73 MMP2 (0.41) TSHRLMNANPC1HPGDALDH1A1
SCHEMBL29125947 0.73 TSHR (0.40) TSHRKMT2ALMNANPC1HSD17B10
SCHEMBL5797843 0.73 TSHR (0.54) TSHRKMT2ALMNANPC1HSD17B10
SCHEMBL24417341 0.70 GLA (0.55) TSHRKMT2ALMNAHSD17B10ALDH1A1
SCHEMBL29125953 0.70 TSHR (0.54) TSHRKMT2ALMNAHSD17B10ALDH1A1
SCHEMBL29125945 0.69 LMNA (0.40) TSHRKMT2ALMNANPC1HSD17B10
SCHEMBL29125928 0.68 TSHR (0.49) TSHRKMT2AMEN1LMNAHSD17B10
SCHEMBL4046751 0.68 DAO (0.52) TSHRLMNANPC1MAOBALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 — — EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 — — US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 — — US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 — — US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 — — 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 TSHR 3033/4885KMT2A 574/4885MEN1 2645/4885

“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.

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