SCHEMBL10211577

SCHEMBL10211577

CC(C)(C)c1csc(CN2CCCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
HTT P42858 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP2A13 Q16696 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL10211545 0.94 HTT (0.46) HRH3HTTSIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL14049782 0.81 HRH3 (0.45) HRH3HTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL13322107 0.79 HTT (0.46) HRH3HTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL12412738 0.79 ALDH1A1 (0.46) HRH3ALDH1A1LMNAMAPT
SCHEMBL12412714 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AALOX15NPSR1
SCHEMBL12412731 0.75 ALDH1A1 (0.50) HTTALDH1A1MEN1KMT2ANPSR1
SCHEMBL12412733 0.74 ALDH1A1 (0.53) SIGMAR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL17213772 0.73 HTT (0.50) HRH3HTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL17896326 0.72 MAP4K4 (0.46) HRH3SIGMAR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL578293 0.72 HTT (0.51) HRH3HTTSMN1; SMN2ALDH1A1MEN1

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-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

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 HRH3 129/4885HTT 2826/4885SIGMAR1 3154/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA HRH3 134/4885HTT 2875/4885SIGMAR1 3150/4885

“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.