SCHEMBL833830

SCHEMBL833830

CC(Nc1ccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)cc1)c1cccc(S(=O)(=O)N(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.54
▸ KMT2A Q03164 7/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ SIRT2 Q8IXJ6 3/20 0.49
▸ TSHR P16473 2/20 0.47
▸ AR P10275 1/20 0.47

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
SCHEMBL9920148 0.88 MEN1 (0.67) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL15613023 0.76 MEN1 (0.69) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL27179466 0.74 MEN1 (0.65) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL30926533 0.74 MEN1 (0.65) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4250041 0.73 ALDH1A1 (0.80) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL27179416 0.71 SIRT2 (0.84) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL1001981 0.69 SMN1; SMN2 (0.54) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL15503709 0.69 NPC1 (1.00) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL12412117 0.69 L3MBTL1 (0.58) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL26336375 0.68 MEN1 (0.71) MEN1KMT2AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143269-B2 Inhibitors of store operated calcium release CALCIMEDICA, INC. (US) 2012-03-27 — — US disclosed
US-8143269-B2 Inhibitors of store operated calcium release CALCIMEDICA, INC. (US) 2012-03-27 — — US disclosed
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-04-08 — — US disclosed
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-04-08 — — 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 (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-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 MEN1 3485/4885KMT2A 4780/4885ALDH1A1 4125/4885

“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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