SCHEMBL3599640

SCHEMBL3599640

[NH]c1ccc2c(c1)SCC(=O)N2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.64
MAOA P21397 10/20 0.64
EPHX2 P34913 1/20 0.64
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
HTT P42858 1/20 0.49
KIF11 P52732 2/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL3601956 0.87 HTT (0.59) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL5751107 0.78 MAOB (0.64) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL6015836 0.78 MAOB (1.00) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL4219649 0.78 MAOB (0.64) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL31469916 0.78 MAOB (0.64) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL18307137 0.78 MAOB (0.64) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL3599644 0.78 MAOB (0.64) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL279937 0.78 EPHX2 (1.00) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL299571 0.78 MAOB (0.64) MAOBMAOAEPHX2PDE3BPDE3A
SCHEMBL6754956 0.75 KIF11 (0.68) MAOBMAOAEPHX2PDE3BPDE3A

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 MAOB 1349/4885MAOA 1461/4885EPHX2 1258/4885

“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.