SCHEMBL4898840

SCHEMBL4898840

O=C1CSc2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
MAOB P27338 10/20 0.50
MAOA P21397 9/20 0.50
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
EPHX2 P34913 1/20 0.50
NOTUM Q6P988 1/20 0.49
KIF11 P52732 2/20 0.43
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4897471 0.79 CYP11B1 (0.56) CYP11B1CYP11B2PDE3BPDE3ANOTUM
SCHEMBL4890586 0.78 KIF11 (0.58) CYP11B1CYP11B2PDE3BPDE3ANOTUM
SCHEMBL4891714 0.76 KIF11 (0.49) CYP11B1CYP11B2PDE3BPDE3ANOTUM
SCHEMBL25904133 0.75 CYP11B1 (0.59) CYP11B1CYP11B2MAOBMAOAPDE3B
SCHEMBL4596362 0.74 KIF11 (0.61) CYP11B1CYP11B2MAOBMAOAPDE3B
SCHEMBL25904981 0.71 MAOB (0.78) CYP11B1CYP11B2MAOBMAOAPDE3B
SCHEMBL4898364 0.71 CYP11B1 (0.52) CYP11B1CYP11B2MAOBMAOAPDE3B
SCHEMBL1878844 0.71 CYP11B1 (0.66) CYP11B1CYP11B2MAOBMAOAPDE3B
SCHEMBL4888650 0.71 KIF11 (0.67) CYP11B1CYP11B2MAOBMAOAPDE3B
SCHEMBL5751107 0.71 MAOB (0.64) CYP11B1CYP11B2MAOBMAOAPDE3B

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-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 CYP11B1 780/4885CYP11B2 1046/4885MAOB 2353/4885

“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.