SCHEMBL24513591

SCHEMBL24513591

O=C(Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ HPSE Q9Y251 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ STK33 Q9BYT3 1/20 0.51
▸ FOXO1 Q12778 2/20 0.49
▸ PDPK1 O15530 1/20 0.49
▸ MMP2 P08253 3/20 0.49
▸ MMP9 P14780 3/20 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
SCHEMBL22489011 0.91 MMP2 (0.59) NPC1RAB9AKDM4EPKMSMN1; SMN2
SCHEMBL22488979 0.90 NPC1 (0.61) NPC1RAB9AKDM4EHPSEMEN1
SCHEMBL22488981 0.89 NPC1 (0.64) NPC1RAB9AKDM4ETP53PKM
SCHEMBL22488747 0.89 ADORA2A (0.60) NPC1RAB9AKDM4ETP53SMN1; SMN2
SCHEMBL22488976 0.89 NPC1 (0.60) NPC1RAB9AKDM4EPKMHPSE
SCHEMBL22489156 0.87 NPC1 (0.47) NPC1RAB9AKDM4ETP53PKM
SCHEMBL22489164 0.86 COMT (0.64) NPC1RAB9AKDM4ETP53PKM
SCHEMBL24513213 0.86 FOXO1 (0.52) NPC1RAB9AKDM4EPKMHPSE
SCHEMBL22489134 0.86 FOXO1 (0.58) NPC1RAB9AKDM4EHPSEMEN1
SCHEMBL24513588 0.84 MAPT (0.63) NPC1RAB9AKDM4ETP53PKM

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-20220185797-A1 SELECTIVE FOXO INHIBITORS FOR TREATMENT OF DIABETES AND OTHER DISORDERS RELATED TO IMPAIRED PANCREATIC FUNCTION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-06-16 — — 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-20220185797-A1 SELECTIVE FOXO INHIBITORS FOR TREATMENT OF DIABETES AND OTHER DISORDERS RELATED TO IMPAIRED PANCREATIC FUNCTION FOXO1, FOXO3, FOXK1 NPC1 3743/4885RAB9A 1948/4885KDM4E 320/4885

“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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