SCHEMBL23915994

SCHEMBL23915994

Nc1ccc(-c2cc(F)cc(C(F)(F)F)c2)c(-c2nnn[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
PGR P06401 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
SSTR5 P35346 2/20 0.32
IKBKB O14920 1/20 0.32
KIF11 P52732 2/20 0.31
GRM4 Q14833 1/20 0.30

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
SCHEMBL23916410 0.85 KIF11 (0.44) GLAPOLBGAATSHRKIF11
SCHEMBL23916477 0.84 KDM1A (0.40) GAARXRARXRBRXRGIKBKB
SCHEMBL23916453 0.78 GLA (0.34) GLAPOLBGAATSHR
SCHEMBL14217428 0.77 ALDH1A1 (0.34) GLAPOLBGAATSHR
SCHEMBL21135415 0.76 KCNH2 (0.41) GLAPOLBGAATSHR
SCHEMBL23916460 0.76 PARP15 (0.39) GLAPOLBGAATSHR
SCHEMBL3574262 0.74 GAA (0.58) GLAPOLBGAATSHRKIF11
SCHEMBL21071976 0.74 NOTUM (0.36) GAA
SCHEMBL23915977 0.74 KCNH2 (0.35)
SCHEMBL23916421 0.74 KDM4E (0.34) GAA

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 GLA 1449/4885POLB 3196/4885GAA 521/4885

“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.