SCHEMBL21994656

SCHEMBL21994656

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
MGLL Q99685 1/20 0.36
HTR2A P28223 3/20 0.35
TSHR P16473 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
NOX1 Q9Y5S8 1/20 0.34
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP2A6 P11509 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
GAA P10253 1/20 0.33
NOTUM Q6P988 1/20 0.33
POLB P06746 1/20 0.32
SCN4A P35499 1/20 0.32

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
SCHEMBL12058637 0.83 LMNA (0.42) LMNATP53HTTCYP3A4MGLL
SCHEMBL21994528 0.78 TP53 (0.52) LMNATP53HTTCYP3A4TSHR
SCHEMBL17226299 0.77 HTT (0.45) LMNATP53HTTCYP3A4MGLL
SCHEMBL1911434 0.76 LMNA (0.48) LMNATP53HTTCYP3A4HTR2A
SCHEMBL21994846 0.75 CA1 (0.38)
SCHEMBL15093905 0.74 LMNA (0.42) LMNATP53HTTCYP3A4MGLL
SCHEMBL23123473 0.72 LMNA (0.67) LMNATP53HTTCYP3A4HTR2A
SCHEMBL21095998 0.72 HTT (0.45) LMNATP53HTTCYP3A4MGLL
SCHEMBL29757882 0.72 LMNA (0.67) LMNATP53HTTCYP3A4HTR2A
Hydrogen Peroxide SCHEMBL29099641 0.72 HTR2B (0.51) LMNATP53HTTCYP3A4HTR2A

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 LMNA 3276/4885TP53 4508/4885HTT 4137/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB LMNA 4608/4885TP53 3011/4885HTT 2088/4885

“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.