SCHEMBL3586627

SCHEMBL3586627

[NH]c1ccc2c(c1)NC(=O)OC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CMA1 P23946 2/20 0.33
AHR P35869 2/20 0.33
CA9 Q16790 1/20 0.32
EIF2AK2 P19525 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
KCNH2 Q12809 1/20 0.31
MMP12 P39900 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL3597262 0.86 CYP11B1 (0.51) CYP11B1CYP11B2AHRPDE3BPDE3A
SCHEMBL30646022 0.79 CYP11B1 (0.41) CYP11B1CYP11B2CA9PDE3BPDE3A
SCHEMBL293956 0.79 CYP11B1 (0.41) CYP11B1CYP11B2CA9PDE3BPDE3A
SCHEMBL436631 0.79 MMP12 (0.51) CYP11B1CYP11B2PDE3BPDE3AMMP12
SCHEMBL15788033 0.79 CYP11B1 (0.41) CYP11B1CYP11B2CMA1AHRCA9
SCHEMBL3586629 0.79 CA9 (0.54) CYP11B1CYP11B2CMA1AHRCA9
SCHEMBL14728002 0.75 CYP11B1 (0.39) CYP11B1CYP11B2CA9PDE3BPDE3A
SCHEMBL13245111 0.75 CYP11B1 (0.39) CYP11B1CYP11B2CA9PDE3BPDE3A
SCHEMBL8199094 0.75 PARP1 (0.55) CYP11B1CYP11B2PDE3BPDE3AGRIN2D
SCHEMBL20364332 0.75 HPGD (0.43) CYP11B1CYP11B2PDE3BPDE3AKCNH2

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CYP11B1 162/4885CYP11B2 165/4885CMA1 2152/4885

“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.