SCHEMBL21995400

SCHEMBL21995400

[CH2]C(F)(F)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CYP2A6 P11509 1/20 0.44
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 3/20 0.35
ALOX15 P16050 2/20 0.35
EPM2A O95278 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.31
TGM2 P21980 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8909 0.77 TRPV1 (0.50) CA1CA2CA5ACA9CYP2A6
SCHEMBL3675742 0.77 CA1 (0.50) CA1CA2CA5ACA9CYP2A6
SCHEMBL21791779 0.77 CA1 (0.50) CA1CA2CA5ACA9CYP2A6
SCHEMBL1781465 0.77 CA2 (0.50) CA1CA2CA5ACA9CYP2A6
SCHEMBL20603684 0.77 ALDH1A1 (0.50) CA1CA2ALDH1A1TGM2TSHR
SCHEMBL20603808 0.74 KCNN4 (0.41) CA1CA2CA9MAPK1TGM2
SCHEMBL1729090 0.74 TRPV1 (0.48) CA1CA2CA5ACA9CYP2A6
SCHEMBL13526 0.72 CA1 (0.46) CA1CA2CA5ACA9CYP2A6
SCHEMBL17996511 0.72 CA2 (0.52) CA1CA2CA5ACA9CYP2A6
SCHEMBL20603831 0.72 TSHR (0.50) CA1CA2CA5ACA9ALDH1A1

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 852/4885CA5A 1133/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB CA1 4659/4885CA2 3138/4885CA5A 1068/4885

“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.