SCHEMBL27196475

SCHEMBL27196475

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 4/20 0.53
▸ ALOX12 P18054 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ ADAMTS5 Q9UNA0 12/20 0.53
▸ HSP90AA1 P07900 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL30876612 0.90 ADAMTS5 (0.49) HTTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL24634710 0.89 KDM4E (0.54) HTTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL30876648 0.89 KDM4E (0.54) HTTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL27196432 0.86 ALOX12 (0.66) HTTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL29856067 0.85 HTT (0.56) HTTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL30876636 0.84 KDM4E (0.56) HTTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL24634704 0.84 KDM4E (0.56) HTTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL29856065 0.80 ADAMTS5 (0.52) HTTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL30876644 0.79 HTT (0.53) HTTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL24634713 0.79 HTT (0.53) HTTSMN1; SMN2MEN1KMT2AKDM4E

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 HTT 2113/4885SMN1; SMN2 2825/4885MEN1 4673/4885

“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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