SCHEMBL22648435

SCHEMBL22648435

COc1cccc(NC(=O)CC(C)(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.66
▸ MEN1 O00255 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ NPC1 O15118 3/20 0.63
▸ USP2 O75604 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ RAB9A P51151 3/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ MTNR1B P49286 2/20 0.60
▸ TP53 P04637 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ MAPT P10636 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ STAT1 P42224 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ MTNR1A P48039 1/20 0.58
▸ PDK1 Q15118 1/20 0.58

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
SCHEMBL26415326 0.87 HPGD (0.63) HPGDMEN1KMT2ANPC1USP2
SCHEMBL5142657 0.85 NPC1 (0.75) HPGDMEN1KMT2ANPC1USP2
SCHEMBL23518557 0.85 HPGD (0.81) HPGDMEN1KMT2ANPC1ALDH1A1
SCHEMBL2856692 0.83 HPGD (0.68) HPGDMEN1KMT2ANPC1USP2
SCHEMBL1141400 0.83 MTNR1B (0.81) HPGDMEN1KMT2ANPC1USP2
SCHEMBL5806693 0.83 HPGD (0.68) HPGDMEN1KMT2ANPC1USP2
SCHEMBL10201970 0.82 NPC1 (0.63) HPGDMEN1KMT2ANPC1USP2
SCHEMBL3753125 0.81 HPGD (0.67) HPGDMEN1KMT2ANPC1USP2
SCHEMBL3470179 0.81 MEN1 (0.69) HPGDMEN1KMT2ANPC1USP2
SCHEMBL2502606 0.81 NPC1 (0.76) HPGDMEN1KMT2ANPC1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675858-B1 IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION OPTIKIRA LLC (US) 2023-04-26 — — EP disclosed
US-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-11-12 — — 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-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION XBP1, RNASE1, ERN1 HPGD 3731/4885MEN1 3784/4885KMT2A 3822/4885

“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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