SCHEMBL24634704

SCHEMBL24634704

NC1C2CN(CC(=O)NC(c3cccnc3)c3cc(Cl)c4cccnc4c3O)CC12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.56
▸ HTT P42858 5/20 0.56
▸ HSP90AA1 P07900 5/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ ALOX12 P18054 6/20 0.56
▸ ADAMTS5 Q9UNA0 8/20 0.55
▸ RAB9A P51151 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ HSPA5 P11021 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ ESR2 Q92731 1/20 0.51

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
SCHEMBL30876636 1.00 KDM4E (0.56) KDM4EHTTHSP90AA1SMN1; SMN2L3MBTL1
SCHEMBL30876648 0.90 KDM4E (0.54) KDM4EHTTHSP90AA1SMN1; SMN2L3MBTL1
SCHEMBL24634710 0.90 KDM4E (0.54) KDM4EHTTHSP90AA1SMN1; SMN2L3MBTL1
SCHEMBL29856067 0.86 HTT (0.56) KDM4EHTTHSP90AA1SMN1; SMN2L3MBTL1
SCHEMBL29856065 0.86 ADAMTS5 (0.52) KDM4EHTTHSP90AA1SMN1; SMN2L3MBTL1
SCHEMBL27196475 0.84 HTT (0.54) KDM4EHTTHSP90AA1SMN1; SMN2L3MBTL1
SCHEMBL29856345 0.82 HTT (0.68) KDM4EHTTHSP90AA1SMN1; SMN2L3MBTL1
SCHEMBL24634708 0.82 HTT (0.68) KDM4EHTTHSP90AA1SMN1; SMN2L3MBTL1
SCHEMBL24634616 0.81 ALOX12 (0.77) KDM4EHTTHSP90AA1SMN1; SMN2L3MBTL1
SCHEMBL30876646 0.81 ALOX12 (0.77) KDM4EHTTHSP90AA1SMN1; SMN2L3MBTL1

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 KDM4E 3062/4885HTT 2113/4885HSP90AA1 26/4885

“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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