SCHEMBL24634702

SCHEMBL24634702

O=C(NC(c1cccnc1)c1cc(Cl)c2cccnc2c1O)C1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
HSP90AA1 P07900 4/20 0.59
KDM4E B2RXH2 4/20 0.59
LMNA P02545 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
POLB P06746 1/20 0.53
ADAMTS5 Q9UNA0 4/20 0.52
ALOX12 P18054 5/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52

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
SCHEMBL30876579 1.00 HTT (0.61) HTTSMN1; SMN2KMT2AMEN1HSP90AA1
SCHEMBL24634613 0.94 HTT (0.66) HTTSMN1; SMN2KMT2AMEN1HSP90AA1
SCHEMBL30876696 0.94 HTT (0.66) HTTSMN1; SMN2KMT2AMEN1HSP90AA1
SCHEMBL30876666 0.92 HTT (0.62) HTTSMN1; SMN2KMT2AMEN1HSP90AA1
SCHEMBL24634716 0.92 HTT (0.62) HTTSMN1; SMN2KMT2AMEN1HSP90AA1
SCHEMBL24634664 0.91 HTT (0.61) HTTSMN1; SMN2KMT2AMEN1HSP90AA1
SCHEMBL27196458 0.84 HTT (0.58) HTTSMN1; SMN2KMT2AMEN1HSP90AA1
SCHEMBL30876621 0.84 HTT (0.58) HTTSMN1; SMN2KMT2AMEN1HSP90AA1
SCHEMBL29856037 0.84 HTT (0.53) HTTSMN1; SMN2KMT2AMEN1HSP90AA1
SCHEMBL27196497 0.84 HTT (0.53) HTTSMN1; SMN2KMT2AMEN1HSP90AA1

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
US-20240124419-A1 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-04-18 US 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 HTT 2113/4885SMN1; SMN2 2825/4885KMT2A 4365/4885

“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.