SCHEMBL10211580

SCHEMBL10211580

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
EBP Q15125 1/20 0.44
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.40
CYP2A13 Q16696 1/20 0.38
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 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
SCHEMBL14049768 0.80 GAA (0.49) LMNAGAAKDM4EHSD17B10TDP1
SCHEMBL10211531 0.80 GAA (0.49) LMNAGAAKDM4EHSD17B10TDP1
SCHEMBL12412738 0.75 ALDH1A1 (0.46) LMNAGAAKDM4ETDP1ALDH1A1
SCHEMBL10211545 0.75 HTT (0.46) SIGMAR1LMNAHSD17B10HTTCYP2A13
SCHEMBL12412731 0.75 ALDH1A1 (0.50) LMNAGAAKDM4ETDP1HTT
SCHEMBL11099523 0.73 SIGMAR1 (0.68) SIGMAR1LMNAGAAEBPKDM4E
SCHEMBL12412714 0.72 ALDH1A1 (0.50) LMNAGAAKDM4EHSD17B10ALDH1A1
SCHEMBL10211577 0.71 HRH3 (0.43) SIGMAR1LMNAHTTCYP2A13ALDH1A1
SCHEMBL12412717 0.66 GAA (0.58) GAAKDM4ETDP1HTTALDH1A1
SCHEMBL10633637 0.66 SIGMAR1 (0.45) SIGMAR1LMNAGAAEBPKDM4E

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
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

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 SIGMAR1 3154/4885LMNA 4277/4885GAA 4493/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA SIGMAR1 3150/4885LMNA 4273/4885GAA 4500/4885

“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.