SCHEMBL30876648

SCHEMBL30876648

N[C@@H]1CN(CC(=O)NC(c2cccnc2)c2cc(Cl)c3cccnc3c2O)C[C@@H]1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.54
▸ HTT P42858 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ HSP90AA1 P07900 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALOX12 P18054 4/20 0.53
▸ ADAMTS5 Q9UNA0 11/20 0.53
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ESR2 Q92731 1/20 0.49

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
SCHEMBL24634710 1.00 KDM4E (0.54) KDM4EHTTSMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL30876636 0.90 KDM4E (0.56) KDM4EHTTSMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL24634704 0.90 KDM4E (0.56) KDM4EHTTSMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL27196475 0.89 HTT (0.54) KDM4EHTTSMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL29856067 0.87 HTT (0.56) KDM4EHTTSMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL30876626 0.86 ALOX12 (0.69) KDM4EHTTSMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL24634663 0.86 ALOX12 (0.69) KDM4EHTTSMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL30876612 0.84 ADAMTS5 (0.49) KDM4EHTTSMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL29856065 0.81 ADAMTS5 (0.52) KDM4EHTTSMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL24634708 0.80 HTT (0.68) KDM4EHTTSMN1; SMN2L3MBTL1HSP90AA1

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 KDM4E 3062/4885HTT 2113/4885SMN1; SMN2 2825/4885

“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