SCHEMBL20329165

SCHEMBL20329165

COCc1ccc(-c2ccc(N)cc2C#N)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GAA P10253 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LRRK2 Q5S007 2/20 0.35
▸ PGR P06401 1/20 0.34
▸ AR P10275 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ KLKB1 P03952 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ STS P08842 1/20 0.33
▸ LMNA P02545 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
SCHEMBL20329623 0.81 KDM4E (0.47) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL21071550 0.80 KDM4E (0.62) ALDH1A1KDM4EUSP2GAAPGR
SCHEMBL29589613 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL27309614 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL20329861 0.75 KDM4E (0.46) ALDH1A1KDM4EUSP2GAAMAPT
SCHEMBL20299013 0.73 KDM4E (0.66) ALDH1A1KDM4EUSP2GAAPGR
SCHEMBL30101062 0.73 KDM4E (0.48) ALDH1A1KDM4EUSP2HPGDMAPT
SCHEMBL21136501 0.73 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2GAAHPGD
SCHEMBL21715808 0.72 KDM4E (0.44) ALDH1A1KDM4EUSP2GAAHPGD
SCHEMBL20329382 0.71 — —

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 4 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-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES Bayer Pharma AG (DE) 2019-06-27 — — US disclosed
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES Bayer Pharma AG (DE) 2019-06-27 — — 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 (2 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
US-20190194148-A1 TETRAZOLE-CONTAINING 1,2-CYCLOPROPANE-CARBOXAMIDES HNMT, AANAT, CHRNA5 ALDH1A1 440/4885KDM4E 3325/4885USP2 2467/4885

“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.

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