SCHEMBL23915975

SCHEMBL23915975

COc1cc(-c2ccc(N)cc2C#N)ccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.53
PGR P06401 4/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
USP2 O75604 1/20 0.52
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
PRKCZ Q05513 1/20 0.40

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
SCHEMBL23916514 0.90 AR (0.56) ARPGRKDM4EALDH1A1USP2
SCHEMBL20299013 0.84 KDM4E (0.66) ARPGRKDM4EALDH1A1USP2
SCHEMBL20329652 0.80 ALDH1A1 (0.60) ARPGRKDM4EALDH1A1USP2
SCHEMBL23909977 0.79 KDM4E (0.49) ARPGRKDM4EALDH1A1USP2
SCHEMBL21071550 0.79 KDM4E (0.62) ARPGRKDM4EALDH1A1USP2
SCHEMBL20329375 0.78 TSHR (0.41) ARPGRALDH1A1GLAGAA
SCHEMBL20329370 0.77 KDM4E (0.60) ARPGRKDM4EALDH1A1USP2
SCHEMBL23909968 0.77 KIF11 (0.59) ARPGRALDH1A1GLAGAA
SCHEMBL20329162 0.77 KDM4E (0.58) ARPGRKDM4EALDH1A1USP2
SCHEMBL1013276 0.77 GAA (0.50) ARKDM4EALDH1A1USP2GLA

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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-14 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-20210317092-A1 TETRAZOLE CONTAINING COMPOUNDS TSLP, IL5, TRPA1 AR 3762/4885PGR 3832/4885KDM4E 4547/4885

“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.