SCHEMBL13429591

SCHEMBL13429591

Cn1nnnc1-c1ccc(-c2ccc3c(c2)C[C@H]2C(CNC(=O)OC(C)(C)C)OC(=O)N32)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
F10 P00742 6/20 0.33
ACACB O00763 2/20 0.33
ACACA Q13085 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE10A Q9Y233 1/20 0.32
RORC P51449 1/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
WNT1 P04628 1/20 0.32
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL9968662 0.93 KCNH2 (0.43) KCNH2F10PDE10AGSK3BDYRK1A
SCHEMBL4436007 0.91 KCNH2 (0.45) KCNH2F10PDE10AGSK3BDYRK1A
SCHEMBL9930739 0.90 KCNH2 (0.51) KCNH2F10PDE10AGSK3BDYRK1A
SCHEMBL13429563 0.88 KCNH2 (0.42) KCNH2F10ACACBACACACYP11B1
SCHEMBL13429589 0.85 KCNH2 (0.46) KCNH2CYP11B1CYP11B2PDE10AGSK3B
SCHEMBL13429587 0.84 KCNH2 (0.37) KCNH2CYP11B1CYP11B2PDE10AGSK3B
SCHEMBL13429499 0.84 KCNH2 (0.39) KCNH2PDE10AGSK3BDYRK1AWNT1
SCHEMBL13429590 0.83 KCNH2 (0.37) KCNH2CYP11B1CYP11B2PDE10AGSK3B
SCHEMBL9968533 0.83 MAOB (0.38) KCNH2CYP11B1CYP11B2PDE10A
SCHEMBL13456680 0.82 KCNH2 (0.37) KCNH2PDE10AGSK3BDYRK1AWNT1

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-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 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-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS IDO1, IDO2, INMT KCNH2 1145/4885F10 3746/4885ACACB 3991/4885

“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.