SCHEMBL909145

SCHEMBL909145

COc1nc(/C=C(/C(=O)O)C(C)(C)C)ccc1-n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP19A1 P11511 1/20 0.38
HTT P42858 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
CD38 P28907 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP24A1 Q07973 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
IDO1 P14902 2/20 0.32
ADH5 P11766 1/20 0.32

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
SCHEMBL909146 1.00 CYP11B1 (0.38) CYP11B1CYP11B2CYP19A1HTTAAK1
SCHEMBL909495 0.81 PSEN1 (0.41) CYP3A4
SCHEMBL909496 0.81 PSEN1 (0.41) CYP3A4
SCHEMBL909113 0.79 TBXAS1 (0.40) CYP11B1CYP11B2CYP19A1HTTAAK1
SCHEMBL909111 0.79 TBXAS1 (0.40) CYP11B1CYP11B2CYP19A1HTTAAK1
SCHEMBL909144 0.77 L3MBTL1 (0.37) CYP11B1CYP11B2CYP19A1HTTAAK1
SCHEMBL720144 0.69 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1HTTAAK1
SCHEMBL908708 0.66 PSEN1 (0.42)
SCHEMBL908711 0.66 PSEN1 (0.42)
SCHEMBL908954 0.65 GAA (0.34) HTTCYP3A4ALDH1A1MAPTSMN1; SMN2

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-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 CYP11B1 26/4885CYP11B2 30/4885CYP19A1 266/4885

“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.