SCHEMBL30876565

SCHEMBL30876565

CCCC(=O)NC(c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.81
HSP90AA1 P07900 10/20 0.76
KDM4E B2RXH2 7/20 0.76
RAB9A P51151 7/20 0.76
LMNA P02545 6/20 0.76
NPC1 O15118 6/20 0.76
TDP1 Q9NUW8 5/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
MITF O75030 1/20 0.76
ALOX12 P18054 5/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
KMT2A Q03164 5/20 0.74
HTT P42858 4/20 0.74
HSPA5 P11021 1/20 0.74
TP53 P04637 2/20 0.74
USP2 O75604 1/20 0.74
ALOX15 P16050 1/20 0.74
TSHR P16473 1/20 0.74
ADAMTS5 Q9UNA0 4/20 0.73
MEN1 O00255 4/20 0.71

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
SCHEMBL2153092 1.00 KDM1A (0.81) KDM1AHSP90AA1KDM4ERAB9ALMNA
SCHEMBL27768660 0.95 HSP90AA1 (0.75) KDM1AHSP90AA1KDM4ERAB9ALMNA
SCHEMBL2153066 0.93 ALOX12 (0.86) KDM1AHSP90AA1KDM4ERAB9ALMNA
SCHEMBL30876629 0.93 KDM1A (0.79) KDM1AHSP90AA1KDM4ERAB9ALMNA
SCHEMBL24634662 0.93 KDM1A (0.79) KDM1AHSP90AA1KDM4ERAB9ALMNA
SCHEMBL30876659 0.90 ADAMTS5 (0.83) KDM1AHSP90AA1KDM4ERAB9ALMNA
SCHEMBL27790154 0.90 KDM1A (0.75) KDM1AHSP90AA1KDM4ERAB9ALMNA
SCHEMBL24634657 0.90 ADAMTS5 (0.83) KDM1AHSP90AA1KDM4ERAB9ALMNA
SCHEMBL2153162 0.90 KDM1A (0.84) KDM1AHSP90AA1KDM4ERAB9ALMNA
SCHEMBL24634763 0.90 KDM4E (0.74) KDM1AHSP90AA1KDM4ERAB9ALMNA

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 26/4885KDM4E 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.