SCHEMBL21995414

SCHEMBL21995414

[CH2]C(F)(F)c1ccc(C)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PDK2 Q15119 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.33
PDE2A O00408 1/20 0.33
HPGD P15428 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRB2 P47870 1/20 0.33
LMNA P02545 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
SCHEMBL1043249 0.83 SMN1; SMN2 (0.45) CYP3A4TSHRMAPK1TDP1SMN1; SMN2
SCHEMBL25908563 0.81 PDK2 (0.39) CYP3A4TSHRMAPK1TDP1SMN1; SMN2
SCHEMBL21995301 0.80 TSHR (0.60) CYP3A4TSHRMAPK1TDP1SMN1; SMN2
SCHEMBL15280202 0.79 SMN1; SMN2 (0.37) CYP3A4TSHRMAPK1TDP1SMN1; SMN2
SCHEMBL21995470 0.78 TDP1 (0.39) CYP3A4TDP1SMN1; SMN2TP53MAPT
SCHEMBL803011 0.76 ALDH1A1 (0.39) CYP3A4TSHRMAPK1TDP1SMN1; SMN2
SCHEMBL5380073 0.76 TDP1 (0.60) CYP3A4TSHRMAPK1TDP1SMN1; SMN2
SCHEMBL21994498 0.75 PTPN1 (0.41) MAPK1TDP1SMN1; SMN2RAB9AMAPT
SCHEMBL29005375 0.75 SMN1; SMN2 (0.36) CYP3A4TSHRMAPK1TDP1SMN1; SMN2
SCHEMBL19708930 0.72 PDK1 (0.39) CYP3A4TSHRMAPK1TDP1SMN1; SMN2

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 CYP3A4 180/4885TSHR 4435/4885MAPK1 1817/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB CYP3A4 61/4885TSHR 1426/4885MAPK1 3192/4885

“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.