SCHEMBL20329652

SCHEMBL20329652

COc1ccc(-c2ccc(N)cc2C#N)cc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
USP2 O75604 1/20 0.60
XDH P47989 1/20 0.53
PTGS2 P35354 4/20 0.45
PTGS1 P23219 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM1A O60341 4/20 0.43
GRM2 Q14416 1/20 0.42
KIT P10721 1/20 0.42
PRKCZ Q05513 1/20 0.42

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
SCHEMBL20299013 0.87 KDM4E (0.66) ALDH1A1KDM4EUSP2XDHMEN1
SCHEMBL21071550 0.84 KDM4E (0.62) ALDH1A1KDM4EUSP2XDHPTGS2
SCHEMBL20329370 0.83 KDM4E (0.60) ALDH1A1KDM4EUSP2XDHPTGS2
SCHEMBL23916514 0.83 AR (0.56) ALDH1A1KDM4EUSP2MEN1KMT2A
SCHEMBL20329162 0.80 KDM4E (0.58) ALDH1A1KDM4EUSP2XDHMEN1
SCHEMBL23915975 0.80 AR (0.53) ALDH1A1KDM4EUSP2MEN1KMT2A
SCHEMBL21136501 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2XDHMEN1
SCHEMBL6572009 0.78 PTGS2 (0.50) ALDH1A1PTGS2PTGS1MEN1KMT2A
SCHEMBL3817177 0.77 KDM4E (1.00) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL31184679 0.77 KDM4E (1.00) ALDH1A1KDM4EUSP2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
WO-2018114783-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-28 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 ALDH1A1 485/4885KDM4E 4547/4885USP2 3984/4885

“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.