SCHEMBL30876629

SCHEMBL30876629

CCCC(=O)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.79
HSP90AA1 P07900 8/20 0.77
RAB9A P51151 5/20 0.77
NPC1 O15118 5/20 0.77
ADAMTS5 Q9UNA0 8/20 0.75
KDM4E B2RXH2 7/20 0.75
ALOX12 P18054 5/20 0.75
TDP1 Q9NUW8 5/20 0.75
LMNA P02545 4/20 0.75
HTT P42858 2/20 0.75
USP2 O75604 1/20 0.75
TP53 P04637 1/20 0.75
ALOX15 P16050 1/20 0.75
TSHR P16473 1/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
MITF O75030 1/20 0.75
L3MBTL1 Q9Y468 2/20 0.73
KMT2A Q03164 4/20 0.72
MEN1 O00255 2/20 0.72
ALDH1A1 P00352 2/20 0.72

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
SCHEMBL24634662 1.00 KDM1A (0.79) KDM1AHSP90AA1RAB9ANPC1ADAMTS5
SCHEMBL2153116 0.95 HSP90AA1 (0.76) KDM1AHSP90AA1RAB9ANPC1ADAMTS5
SCHEMBL2153092 0.93 KDM1A (0.81) KDM1AHSP90AA1RAB9ANPC1ADAMTS5
SCHEMBL30876565 0.93 KDM1A (0.81) KDM1AHSP90AA1RAB9ANPC1ADAMTS5
SCHEMBL24634759 0.91 KDM1A (0.72) KDM1AHSP90AA1RAB9ANPC1ADAMTS5
SCHEMBL24634768 0.91 KDM4E (0.74) KDM1AHSP90AA1RAB9ANPC1ADAMTS5
SCHEMBL30876584 0.91 KDM1A (0.72) KDM1AHSP90AA1RAB9ANPC1ADAMTS5
SCHEMBL24634763 0.91 KDM4E (0.74) KDM1AHSP90AA1RAB9ANPC1ADAMTS5
SCHEMBL30876604 0.91 KDM4E (0.74) KDM1AHSP90AA1RAB9ANPC1ADAMTS5
SCHEMBL30876656 0.91 KDM4E (0.74) KDM1AHSP90AA1RAB9ANPC1ADAMTS5

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 1 patent. 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

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 KDM1A 2866/4885HSP90AA1 26/4885RAB9A 2566/4885

“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.