SCHEMBL22489167

SCHEMBL22489167

CC(C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TP53 P04637 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NR2E3 Q9Y5X4 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ CDK1 P06493 1/20 0.45

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
SCHEMBL22489163 0.86 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL22489011 0.82 MMP2 (0.59) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL22488982 0.81 PDE10A (0.58) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL22488976 0.81 NPC1 (0.60) KDM4EMEN1KMT2AMAPTPOLB
SCHEMBL22488979 0.79 NPC1 (0.61) KDM4EMEN1KMT2AMAPTPOLB
SCHEMBL22488977 0.79 PDE10A (0.57) NR2E3PDE10AFOXO1
SCHEMBL22488995 0.79 FOXO1 (0.68) KDM4EMEN1KMT2AMAPTPOLB
SCHEMBL24513591 0.78 NPC1 (0.60) KDM4EMEN1KMT2AMAPTTP53
SCHEMBL24513588 0.78 MAPT (0.63) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL22488985 0.78 MAPT (0.62) KDM4EALDH1A1MEN1KMT2AGAA

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 2 patents. 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
WO-2020198351-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 (US) 2020-10-01 — — 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-20220185797-A1 SELECTIVE FOXO INHIBITORS FOR TREATMENT OF DIABETES AND OTHER DISORDERS RELATED TO IMPAIRED PANCREATIC FUNCTION FOXO1, FOXO3, FOXK1 KDM4E 320/4885ALDH1A1 3400/4885MEN1 733/4885

“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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