SCHEMBL24634616

SCHEMBL24634616

CCC(=O)NC(c1cccnc1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 10/20 0.77
KDM4E B2RXH2 10/20 0.77
L3MBTL1 Q9Y468 4/20 0.77
NPC1 O15118 7/20 0.71
RAB9A P51151 7/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
LMNA P02545 4/20 0.71
TDP1 Q9NUW8 3/20 0.71
POLB P06746 1/20 0.71
HTT P42858 4/20 0.70
HSP90AA1 P07900 5/20 0.68
ADAMTS5 Q9UNA0 2/20 0.65
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
KDM1A O60341 1/20 0.62
MITF O75030 1/20 0.61

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
SCHEMBL30876646 1.00 ALOX12 (0.77) ALOX12KDM4EL3MBTL1NPC1RAB9A
SCHEMBL24634759 0.93 KDM1A (0.72) ALOX12KDM4EL3MBTL1NPC1RAB9A
SCHEMBL30876584 0.93 KDM1A (0.72) ALOX12KDM4EL3MBTL1NPC1RAB9A
SCHEMBL24634708 0.91 HTT (0.68) ALOX12KDM4EL3MBTL1NPC1RAB9A
SCHEMBL29856345 0.91 HTT (0.68) ALOX12KDM4EL3MBTL1NPC1RAB9A
SCHEMBL24634612 0.91 HSP90AA1 (0.73) ALOX12KDM4EL3MBTL1NPC1RAB9A
SCHEMBL30876632 0.91 HSP90AA1 (0.73) ALOX12KDM4EL3MBTL1NPC1RAB9A
SCHEMBL30876630 0.90 KDM4E (0.63) ALOX12KDM4EL3MBTL1NPC1RAB9A
SCHEMBL24634714 0.90 KDM4E (0.63) ALOX12KDM4EL3MBTL1NPC1RAB9A
SCHEMBL4039606 0.89 NPC1 (0.82) ALOX12KDM4EL3MBTL1NPC1RAB9A

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 ALOX12 2551/4885KDM4E 3062/4885L3MBTL1 3778/4885

“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.