SCHEMBL24634612

SCHEMBL24634612

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.73
POLB P06746 2/20 0.73
KDM4E B2RXH2 9/20 0.70
TDP1 Q9NUW8 7/20 0.70
LMNA P02545 7/20 0.70
KMT2A Q03164 7/20 0.70
NPC1 O15118 6/20 0.70
MEN1 O00255 6/20 0.70
ALDH1A1 P00352 3/20 0.70
KDM1A O60341 1/20 0.66
RAB9A P51151 6/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
MITF O75030 1/20 0.65
ALOX12 P18054 6/20 0.65
HTT P42858 6/20 0.65
USP2 O75604 1/20 0.65
TP53 P04637 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.64

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
SCHEMBL30876632 1.00 HSP90AA1 (0.73) HSP90AA1POLBKDM4ETDP1LMNA
SCHEMBL30876584 0.95 KDM1A (0.72) HSP90AA1POLBKDM4ETDP1LMNA
SCHEMBL24634759 0.95 KDM1A (0.72) HSP90AA1POLBKDM4ETDP1LMNA
SCHEMBL2153116 0.92 HSP90AA1 (0.76) HSP90AA1POLBKDM4ETDP1LMNA
SCHEMBL30876646 0.91 ALOX12 (0.77) HSP90AA1POLBKDM4ETDP1LMNA
SCHEMBL24634616 0.91 ALOX12 (0.77) HSP90AA1POLBKDM4ETDP1LMNA
SCHEMBL23792594 0.89 HSP90AA1 (0.75) HSP90AA1POLBKDM4ETDP1LMNA
SCHEMBL27768660 0.89 HSP90AA1 (0.75) HSP90AA1POLBKDM4ETDP1LMNA
SCHEMBL24634755 0.88 KDM1A (0.72) HSP90AA1POLBKDM4ETDP1LMNA
SCHEMBL30876697 0.88 KDM1A (0.72) HSP90AA1POLBKDM4ETDP1LMNA

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 HSP90AA1 26/4885POLB 4499/4885KDM4E 3062/4885

“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.