SCHEMBL20715315

SCHEMBL20715315

COc1ccc(CCN2CCC(Nc3nc4ccccc4n3CCc3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.87
SSTR5 P35346 3/20 0.82
LMNA P02545 3/20 0.82
EED O75530 2/20 0.82
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
GAA P10253 2/20 0.82
MLNR O43193 1/20 0.82
CACNA1F O60840 1/20 0.82
USP2 O75604 1/20 0.82
ABCB11 O95342 1/20 0.82
EGFR P00533 1/20 0.82
HLA-A P04439 1/20 0.82
ERBB2 P04626 1/20 0.82
TP53 P04637 1/20 0.82
CYP1A2 P05177 1/20 0.82
LCK P06239 1/20 0.82
FYN P06241 1/20 0.82
CHRM2 P08172 1/20 0.82
CHRM4 P08173 1/20 0.82

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
SCHEMBL12045363 0.93 KCNH2 (0.88) KCNH2SSTR5LMNAEEDMEN1
SCHEMBL23696975 0.92 KCNH2 (0.85) KCNH2SSTR5LMNAEEDMEN1
Water SCHEMBL11485995 0.91 KCNH2 (0.84) KCNH2SSTR5LMNAEEDMEN1
Astemizole SCHEMBL4385 0.91 KCNH2 (1.00) KCNH2SSTR5LMNAEEDMEN1
SCHEMBL23696973 0.91 KCNH2 (0.84) KCNH2SSTR5LMNAEEDMEN1
SCHEMBL10383257 0.90 KCNH2 (0.75) KCNH2SSTR5LMNAEEDMEN1
SCHEMBL9538057 0.89 KCNH2 (0.71) KCNH2SSTR5LMNAEEDMEN1
Astemizole SCHEMBL1682436 0.87 KCNH2 (0.92) KCNH2SSTR5LMNAEEDMEN1
SCHEMBL1152441 0.87 KCNH2 (0.72) KCNH2SSTR5LMNAEEDMEN1
SCHEMBL10428767 0.87 KCNH2 (0.72) KCNH2SSTR5LMNAEEDMEN1

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-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GFB (ABC), LLC 2020-12-03 US disclosed
WO-2019028308-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-02-07 WO 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-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF AZI2, ATP6V1B1, GLS KCNH2 692/4885SSTR5 1548/4885LMNA 3519/4885

“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.