SCHEMBL29856009

SCHEMBL29856009

CC(C)(C)OC(=O)NC(c1cccnc1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
HTT P42858 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
MEN1 O00255 5/20 0.64
HSP90AA1 P07900 5/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
L3MBTL1 Q9Y468 5/20 0.61
KDM4E B2RXH2 4/20 0.61
LMNA P02545 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPT P10636 1/20 0.61
ADAMTS5 Q9UNA0 6/20 0.58
POLB P06746 1/20 0.57
ALOX12 P18054 3/20 0.55
ADAM17 P78536 1/20 0.54
MCL1 Q07820 1/20 0.54

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
SCHEMBL30876685 0.92 KMT2A (0.57) KMT2AHTTSMN1; SMN2MEN1HSP90AA1
SCHEMBL29855987 0.86 NPC1 (0.82) KMT2AHTTSMN1; SMN2MEN1HSP90AA1
SCHEMBL4039606 0.86 NPC1 (0.82) KMT2AHTTSMN1; SMN2MEN1HSP90AA1
Hydrochloric Acid SCHEMBL4040420 0.85 NPC1 (0.80) KMT2AHTTSMN1; SMN2MEN1HSP90AA1
SCHEMBL24634614 0.84 HTT (0.68) KMT2AHTTSMN1; SMN2MEN1HSP90AA1
SCHEMBL30876598 0.84 HTT (0.68) KMT2AHTTSMN1; SMN2MEN1HSP90AA1
SCHEMBL29856092 0.84 KMT2A (0.51) KMT2AHTTSMN1; SMN2MEN1HSP90AA1
SCHEMBL29856155 0.84 HTT (0.54) KMT2AHTTSMN1; SMN2MEN1HSP90AA1
SCHEMBL27196452 0.84 HTT (0.54) KMT2AHTTSMN1; SMN2MEN1HSP90AA1
SCHEMBL24634711 0.84 HTT (0.62) KMT2AHTTSMN1; SMN2MEN1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124419-A1 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-04-18 US disclosed
EP-4288416-A2 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF The Regents Of The University Of Michigan (US) 2023-12-13 EP disclosed
WO-2022169834-A2 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-08-11 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 (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-20240124419-A1 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF HSPA5, HSPA2, PSMG3 KMT2A 4365/4885HTT 2113/4885SMN1; SMN2 2825/4885

“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.