SCHEMBL23482186

SCHEMBL23482186

CCC(C)Cc1ccc(OC)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.42
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NNMT P40261 1/20 0.38
CYP11B1 P15538 1/20 0.37
DAO P14920 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36

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
SCHEMBL4968344 0.85 ACACB (0.44) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL4966632 0.85 ACACB (0.41) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL24261198 0.84 ACACB (0.40) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL5532478 0.84 ACACB (0.45) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL21983487 0.81 ACACB (0.40) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL6266868 0.81 ACACB (0.41) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL13283764 0.81 SLC6A4 (0.55)
SCHEMBL1415143 0.81 ACACB (0.46) ACACBKDM1AMAOAMAOBNNMT
SCHEMBL6262756 0.80 ACACB (0.46) ACACBNNMTKLKB1KDM4EMEN1
SCHEMBL24562881 0.79 SMO (0.37) ACACBKDM1AMAOAMAOBNNMT

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-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2022-06-14 US disclosed
US-20220087988-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE LOXO ONCOLOGY, INC. 2022-03-24 US disclosed
US-20210171465-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-06-10 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 (3 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-20220087988-A1 FORMULATIONS OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE RET, ALK, BRAF ACACB 4527/4885KDM1A 742/4885MAOA 4164/4885
US-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX ACACB 522/4885KDM1A 742/4885MAOA 67/4885
US-20210171465-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX ACACB 522/4885KDM1A 742/4885MAOA 67/4885

“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.