SCHEMBL13429560

SCHEMBL13429560

Cn1nnc(-c2ccc(-c3ccc4c(c3)C[C@H]3[C@H](CN)OC(=O)N43)cn2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KCNH2 Q12809 2/20 0.37
PDE10A Q9Y233 1/20 0.33
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
DRD2 P14416 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
SCHEMBL13429665 1.00 MAOA (0.44) MAOAMAOBKCNH2PDE10AWNT1
SCHEMBL13429558 0.92 MAOA (0.45) MAOAMAOBKCNH2PDE10AWNT1
SCHEMBL13429561 0.91 MAOA (0.50) MAOAMAOBKCNH2PDE10AWNT1
SCHEMBL9930363 0.87 MAOA (0.41) MAOAMAOBKCNH2PDE10A
SCHEMBL14069362 0.87 MAOA (0.41) MAOAMAOBKCNH2PDE10A
SCHEMBL9930537 0.87 KCNH2 (0.51) MAOAMAOBKCNH2PDE10AWNT1
SCHEMBL9930802 0.87 MAOA (0.41) MAOAMAOBKCNH2PDE10A
SCHEMBL13423973 0.87 MAOA (0.43) MAOAMAOBKCNH2PDE10A
SCHEMBL9929884 0.86 MAOA (0.42) MAOAMAOBKCNH2PDE10AWNT1
SCHEMBL13429487 0.86 MAOA (0.42) MAOAMAOBKCNH2PDE10AHCRTR1

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-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 US disclosed
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 MAOA 77/4885MAOB 53/4885KCNH2 1145/4885

“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.