SCHEMBL20133301

SCHEMBL20133301

Fc1ccc(Cn2c(NC3CCN(CCc4ccc(OI)cc4)CC3)nc3ccccc32)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.84
SSTR5 P35346 5/20 0.84
EED O75530 2/20 0.84
LMNA P02545 2/20 0.84
GAA P10253 2/20 0.84
MEN1 O00255 1/20 0.84
MLNR O43193 1/20 0.84
CACNA1F O60840 1/20 0.84
USP2 O75604 1/20 0.84
ABCB11 O95342 1/20 0.84
EGFR P00533 1/20 0.84
HLA-A P04439 1/20 0.84
ERBB2 P04626 1/20 0.84
TP53 P04637 1/20 0.84
CYP1A2 P05177 1/20 0.84
LCK P06239 1/20 0.84
FYN P06241 1/20 0.84
CHRM2 P08172 1/20 0.84
CHRM4 P08173 1/20 0.84
ABCB1 P08183 1/20 0.84

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
Astemizole SCHEMBL4385 0.91 KCNH2 (1.00) KCNH2SSTR5EEDLMNAGAA
SCHEMBL2380395 0.90 KCNH2 (0.84) KCNH2SSTR5EEDLMNAGAA
SCHEMBL10428997 0.89 SSTR5 (0.89) KCNH2SSTR5EEDLMNAGAA
SCHEMBL22375097 0.89 KCNH2 (0.80) KCNH2SSTR5EEDLMNAGAA
[3H]-Astemizole SCHEMBL13109223 0.89 KCNH2 (0.89) KCNH2SSTR5EEDLMNAGAA
[3H]-Astemizole SCHEMBL30412778 0.89 KCNH2 (0.89) KCNH2SSTR5EEDLMNAGAA
SCHEMBL11480993 0.89 SSTR5 (0.85) KCNH2SSTR5EEDLMNAGAA
Desmetheylastemizole SCHEMBL1152697 0.88 KCNH2 (1.00) KCNH2SSTR5EEDLMNAGAA
SCHEMBL9580736 0.88 SSTR5 (0.87) KCNH2SSTR5EEDLMNAGAA
SCHEMBL11571595 0.88 SSTR5 (0.87) KCNH2SSTR5EEDLMNAGAA

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
WO-2018102067-A2 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-07 WO disclosed
US-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2018-05-10 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-20180125821-A1 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE CRBN, VHL, UBQLN2 KCNH2 4854/4885SSTR5 4691/4885EED 2114/4885

“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.