SCHEMBL30876618

SCHEMBL30876618

CCCC(=O)NC(c1cccnc1)c1cc(Br)c2cccnc2c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.52
▸ HSP90AA1 P07900 7/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ LMNA P02545 4/20 0.52
▸ TDP1 Q9NUW8 4/20 0.52
▸ HTT P42858 3/20 0.52
▸ GAA P10253 1/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ MITF O75030 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALOX12 P18054 3/20 0.48
▸ PKM P14618 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PAX8 Q06710 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ADAMTS5 Q9UNA0 2/20 0.46
▸ KDM1A O60341 1/20 0.45
▸ USP2 O75604 1/20 0.43

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
SCHEMBL24634688 1.00 RAB9A (0.52) RAB9AHSP90AA1NPC1L3MBTL1KDM4E
SCHEMBL30876692 0.90 RAB9A (0.51) RAB9AHSP90AA1NPC1L3MBTL1KDM4E
SCHEMBL24634640 0.90 RAB9A (0.51) RAB9AHSP90AA1NPC1L3MBTL1KDM4E
SCHEMBL24634615 0.89 ALOX12 (0.61) RAB9AHSP90AA1NPC1L3MBTL1KDM4E
SCHEMBL30876560 0.89 ALOX12 (0.61) RAB9AHSP90AA1NPC1L3MBTL1KDM4E
SCHEMBL24634753 0.79 ADAMTS5 (0.63) RAB9AHSP90AA1NPC1L3MBTL1KDM4E
SCHEMBL30876668 0.79 ADAMTS5 (0.63) RAB9AHSP90AA1NPC1L3MBTL1KDM4E
SCHEMBL30876684 0.79 HSP90AA1 (0.55) RAB9AHSP90AA1NPC1L3MBTL1KDM4E
SCHEMBL24634649 0.79 HSP90AA1 (0.55) RAB9AHSP90AA1NPC1L3MBTL1KDM4E
SCHEMBL24634647 0.79 RAB9A (0.58) RAB9AHSP90AA1NPC1L3MBTL1KDM4E

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 RAB9A 2566/4885HSP90AA1 26/4885NPC1 2662/4885

“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.

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