SCHEMBL21995470

SCHEMBL21995470

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
ALDH1A1 P00352 1/20 0.34
CASR P41180 3/20 0.34
RAPGEF4 Q8WZA2 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
PDE2A O00408 1/20 0.33
KIF11 P52732 1/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CA2 P00918 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
SCHEMBL15607664 0.82 SMN1; SMN2 (0.41) TDP1TP53SMN1; SMN2CYP1A2CYP2A6
SCHEMBL144686 0.81 TP53 (0.42) TDP1TP53SMN1; SMN2CYP1A2CYP2A6
SCHEMBL21994511 0.80 PDE2A (0.51) RAPGEF4MAPTPDE2AKIF11CYP3A4
SCHEMBL22667817 0.79 TDP1 (0.41) TDP1TP53SMN1; SMN2CYP1A2CYP2A6
SCHEMBL3655726 0.79 TDP1 (0.41) TDP1TP53SMN1; SMN2CYP1A2CYP2A6
SCHEMBL3758483 0.78 CYP3A4 (0.43) TDP1TP53SMN1; SMN2CYP2A6CASR
SCHEMBL21995414 0.78 CYP3A4 (0.39) TDP1TP53SMN1; SMN2CYP1A2CYP2A6
SCHEMBL21994542 0.78 CA1 (0.35) ALDH1A1PDE2APGK1PGK2CA2
SCHEMBL21994498 0.78 PTPN1 (0.41) TDP1SMN1; SMN2CYP1A2CYP2A6ALDH1A1
SCHEMBL15957635 0.77 SMN1; SMN2 (0.46) TDP1TP53SMN1; SMN2CYP1A2CYP2A6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348392-A1 PYRIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 US disclosed
US-20230180756-A1 TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-15 US disclosed
US-20230165252-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
EP-4156936-A1 ACTIVE COMPOUND COMBINATIONS Bayer Aktiengesellschaft (DE) 2023-04-05 EP disclosed
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
WO-2021239766-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2021-12-02 WO 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 (4 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-20230180756-A1 TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS TPMT, TYMP, TPI1 TDP1 447/4885TP53 1840/4885SMN1; SMN2 4734/4885
US-20230348392-A1 PYRIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TST, TPMT TDP1 948/4885TP53 2896/4885SMN1; SMN2 4768/4885
US-20230165252-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX TDP1 2571/4885TP53 4508/4885SMN1; SMN2 4195/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB TDP1 1090/4885TP53 3011/4885SMN1; SMN2 4733/4885

“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.