SCHEMBL21994846

SCHEMBL21994846

[CH2]C(F)c1ccc(Br)cc1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
APLNR P35414 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
PYCR1 P32322 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL21665961 0.83 CA1 (0.40) CA1CA2ALDH1A1MAPK1APLNR
SCHEMBL29426948 0.83 CA1 (0.40) CA1CA2ALDH1A1MAPK1APLNR
SCHEMBL5301444 0.76 GABRA1 (0.43) CA1CA2ALDH1A1MAPK1NPSR1
SCHEMBL21994656 0.75 LMNA (0.39)
SCHEMBL21994510 0.75 MAPK1 (0.33) ALDH1A1MAPK1PYCR1
SCHEMBL27692683 0.74 CA1 (0.37) CA1CA2ALDH1A1MAPK1APLNR
SCHEMBL16744661 0.73 CA1 (0.38) CA1CA2ALDH1A1PYCR1
SCHEMBL24645032 0.72 CA1 (0.36) CA1CA2ALDH1A1MAPK1APLNR
SCHEMBL16793738 0.72 LMNA (0.41) CA1CA2ALDH1A1MAPK1APLNR
SCHEMBL1854756 0.72 CA1 (0.36) CA1CA2ALDH1A1MAPK1APLNR

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-20230165252-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 EP disclosed
WO-2020109391-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-04 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-20230165252-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX CA1 1703/4885CA2 852/4885ALDH1A1 2558/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB CA1 4659/4885CA2 3138/4885ALDH1A1 2740/4885

“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.