SCHEMBL29855994

SCHEMBL29855994

CCCC(=O)NC(c1cccc(N(C)C)c1)c1cc(C)c2cccnc2c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.60
▸ L3MBTL1 Q9Y468 4/20 0.60
▸ KDM1A O60341 1/20 0.59
▸ ADAMTS5 Q9UNA0 7/20 0.57
▸ KDM4E B2RXH2 6/20 0.57
▸ ALOX12 P18054 4/20 0.57
▸ HSP90AA1 P07900 6/20 0.56
▸ TDP1 Q9NUW8 5/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ MITF O75030 1/20 0.56
▸ KMT2A Q03164 5/20 0.55
▸ HTT P42858 3/20 0.54
▸ HSPA5 P11021 1/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53

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
SCHEMBL24634687 1.00 RAB9A (0.60) RAB9AL3MBTL1KDM1AADAMTS5KDM4E
SCHEMBL27196517 0.92 KDM1A (0.68) RAB9AL3MBTL1KDM1AADAMTS5KDM4E
SCHEMBL30876592 0.92 KDM1A (0.68) RAB9AL3MBTL1KDM1AADAMTS5KDM4E
SCHEMBL29855977 0.86 ADAMTS5 (0.59) RAB9AL3MBTL1KDM1AADAMTS5KDM4E
SCHEMBL30876601 0.85 HSP90AA1 (0.58) RAB9AL3MBTL1KDM1AADAMTS5KDM4E
SCHEMBL24634712 0.85 HSP90AA1 (0.58) RAB9AL3MBTL1KDM1AADAMTS5KDM4E
SCHEMBL27196453 0.84 KDM1A (0.81) RAB9AL3MBTL1KDM1AADAMTS5KDM4E
SCHEMBL30876568 0.81 KDM4E (0.52) RAB9AL3MBTL1KDM1AADAMTS5KDM4E
SCHEMBL27196448 0.81 KDM4E (0.52) RAB9AL3MBTL1KDM1AADAMTS5KDM4E
SCHEMBL30876589 0.81 RAB9A (0.57) RAB9AL3MBTL1KDM1AADAMTS5KDM4E

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 3 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
EP-4288416-A2 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF The Regents Of The University Of Michigan (US) 2023-12-13 — — EP 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 RAB9A 2566/4885L3MBTL1 3778/4885KDM1A 2866/4885

“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.

Send feedback