SCHEMBL24634686

SCHEMBL24634686

CCCC(=O)NC(c1ccccn1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.74
HSP90AA1 P07900 10/20 0.74
ALOX12 P18054 10/20 0.74
TDP1 Q9NUW8 6/20 0.74
LMNA P02545 5/20 0.74
HTT P42858 2/20 0.74
USP2 O75604 1/20 0.74
TP53 P04637 1/20 0.74
ALOX15 P16050 1/20 0.74
TSHR P16473 1/20 0.74
RAB9A P51151 9/20 0.71
NPC1 O15118 8/20 0.71
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
ALDH1A1 P00352 3/20 0.71
NPSR1 Q6W5P4 1/20 0.71
KDM1A O60341 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.68
MITF O75030 1/20 0.68
POLB P06746 3/20 0.67

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
SCHEMBL30876549 1.00 KDM4E (0.74) KDM4EHSP90AA1ALOX12TDP1LMNA
SCHEMBL24634764 0.89 HSP90AA1 (0.75) KDM4EHSP90AA1ALOX12TDP1LMNA
SCHEMBL30876629 0.89 KDM1A (0.79) KDM4EHSP90AA1ALOX12TDP1LMNA
SCHEMBL24634662 0.89 KDM1A (0.79) KDM4EHSP90AA1ALOX12TDP1LMNA
SCHEMBL30876624 0.89 HSP90AA1 (0.75) KDM4EHSP90AA1ALOX12TDP1LMNA
SCHEMBL4045007 0.87 NPC1 (0.78) KDM4EHSP90AA1ALOX12TDP1LMNA
SCHEMBL5096659 0.86 NPC1 (0.66) KDM4EHSP90AA1ALOX12TDP1HTT
SCHEMBL30876565 0.86 KDM1A (0.81) KDM4EHSP90AA1ALOX12TDP1LMNA
SCHEMBL2153092 0.86 KDM1A (0.81) KDM4EHSP90AA1ALOX12TDP1LMNA
SCHEMBL2153346 0.85 RAB9A (0.79) KDM4EHSP90AA1ALOX12TDP1LMNA

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 3062/4885HSP90AA1 26/4885ALOX12 2551/4885

“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.