SCHEMBL21994510

SCHEMBL21994510

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
NT5E P21589 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
ESR1 P03372 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE2A O00408 1/20 0.31
PYCR1 P32322 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
SCHEMBL2413799 0.83 MAPK1 (0.35) MAPK1NT5EALDH1A1LMNAHTT
SCHEMBL21994509 0.79 LMNA (0.36) LMNAHTTESR1TP53PDE2A
SCHEMBL21994528 0.78 TP53 (0.52) MAPK1ALDH1A1LMNAHTTTP53
SCHEMBL1569950 0.76 MAPK1 (0.36) MAPK1NT5EALDH1A1LMNAHTT
SCHEMBL21994846 0.75 CA1 (0.38) MAPK1ALDH1A1PYCR1
SCHEMBL16771913 0.75 NISCH (0.33) MAPK1NT5ELMNAHTTESR1
SCHEMBL16760245 0.75 ALDH1A1 (0.33) MAPK1NT5EALDH1A1LMNAPYCR1
SCHEMBL2413818 0.74 MAPK1 (0.42) MAPK1ALDH1A1LMNAHTTESR1
Hydrochloric Acid SCHEMBL16760262 0.73 NISCH (0.32) MAPK1LMNAHTTESR1TP53
Hydrochloric Acid SCHEMBL30161969 0.73 NISCH (0.32) MAPK1LMNAHTTESR1TP53

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 6 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
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 (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 MAPK1 1817/4885NT5E 2543/4885ALDH1A1 2558/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB MAPK1 3192/4885NT5E 250/4885ALDH1A1 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.