SCHEMBL4456909

SCHEMBL4456909

CCOc1ccc(N(c2cccnc2)C(C)(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.38
RORC P51449 2/20 0.38
KCNA5 P22460 1/20 0.36
MAPT P10636 1/20 0.35
NOTUM Q6P988 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALPL P05186 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL4461703 0.75 KCNA5 (0.43) CYP19A1KCNA5MAPTNOTUMALDH1A1
SCHEMBL4456913 0.72 KCNA5 (0.44) KCNA5MAPT
SCHEMBL4458827 0.72 CYP19A1 (0.43) CYP19A1RORCKCNA5MAPTCYP3A4
SCHEMBL4459578 0.70 KCNA5 (0.43) CYP19A1KCNA5MAPTNOTUMALDH1A1
SCHEMBL789630 0.68 TRPV1 (0.57) MAPTNOTUMMAPK1
SCHEMBL789977 0.68 HTT (0.61) MAPTNOTUMMAPK1CYP3A4ALDH1A1
SCHEMBL27879611 0.67 CYP19A1 (0.47) CYP19A1KCNA5MAPTHCRTR1HCRTR2
SCHEMBL13971458 0.67 ELOVL1 (0.42) KCNA5MAPTCYP3A4POLB
SCHEMBL12139578 0.64 MAPT (0.49) CYP19A1MAPTMAPK1ALPLALDH1A1
SCHEMBL18783191 0.64 KIF11 (0.56) CYP19A1MAPTCYP3A4ALDH1A1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed

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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 CYP19A1 4359/4885RORC 3636/4885KCNA5 11/4885

“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.