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Sugi Predict / Compounds / SCHEMBL10211531

SCHEMBL10211531

SCHEMBL10211531

C[C@@H]1CN(Cc2cc(Br)cs2)C[C@H](C)O1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ KDM4E B2RXH2 6/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP2A13 Q16696 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HSP90AB1 P08238 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
SCHEMBL14049768 0.83 GAA (0.49) GAALMNAKDM4ETDP1HTT
SCHEMBL10211580 0.80 SIGMAR1 (0.46) GAALMNAKDM4ETDP1HTT
SCHEMBL5256913 0.72 KDM4E (0.56) GAALMNAKDM4ETDP1ALDH1A1
SCHEMBL9390979 0.72 KDM4E (0.53) GAALMNAKDM4ETDP1HTT
SCHEMBL5253470 0.72 GFER (0.47) GAALMNAKDM4ETDP1ALDH1A1
SCHEMBL9163392 0.72 KDM4E (0.53) GAALMNAKDM4ETDP1HTT
SCHEMBL578799 0.72 KDM4E (0.53) GAALMNAKDM4ETDP1HTT
SCHEMBL578456 0.72 KDM4E (0.53) GAALMNAKDM4ETDP1HTT
SCHEMBL4283973 0.72 KDM4E (0.43) GAALMNAKDM4ETDP1HTT
SCHEMBL4283976 0.72 KDM4E (0.43) GAALMNAKDM4ETDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 — — US disclosed
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 — — US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 — — US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 — — US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 — — US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 — — US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 — — US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 — — US disclosed
WO-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 — — WO 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 (2 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-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA GAA 4493/4885LMNA 4277/4885KDM4E 1066/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA GAA 4500/4885LMNA 4273/4885KDM4E 1090/4885

“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.