SCHEMBL205018

SCHEMBL205018

O=C(Cl)[C@@]12CC[C@H](CN1C1CCCCC1)C2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
EPHX1 P07099 2/20 0.31
EPHX2 P34913 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 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
SCHEMBL205017 1.00 HSD11B1 (0.35) HSD11B1MEN1KMT2AKCNH2HRH3
SCHEMBL204903 0.92
SCHEMBL204902 0.92
SCHEMBL204658 0.73 SLC6A9 (0.33) HSD11B1
SCHEMBL205342 0.73 SLC6A9 (0.33) HSD11B1
SCHEMBL205051 0.69 HSD11B1 (0.34) HSD11B1EPHX1EPHX2
SCHEMBL205052 0.69 HSD11B1 (0.34) HSD11B1EPHX1EPHX2
SCHEMBL19257872 0.68 THRB (0.32)
SCHEMBL205464 0.66
SCHEMBL4350074 0.60 ALDH1A1 (0.42) HSD11B1MEN1KMT2AGAA

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-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 HSD11B1 1871/4885MEN1 3535/4885KMT2A 1186/4885

“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.