SCHEMBL22561707

SCHEMBL22561707

C[C@H](Nc1nc2cc(Br)cc(Cl)c2o1)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.34
ELANE P08246 5/20 0.33
SCN9A Q15858 1/20 0.32
PIP4K2A P48426 1/20 0.32
SYK P43405 4/20 0.32
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
THRB P10828 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL22561687 0.87 MAPT (0.40) PIK3CAELANESCN9ASYKALOX5
SCHEMBL22568477 0.85 HDAC3 (0.34) PIK3CAELANESCN9ASYKALOX5
SCHEMBL22561758 0.82 SCN9A (0.37) SCN9AMAPK1
SCHEMBL22568463 0.82 SCN9A (0.33) PIK3CAELANESCN9ASYK
SCHEMBL22568474 0.82 SCN9A (0.40) PIK3CASCN9APIP4K2ASYKALOX5
SCHEMBL22568395 0.81 PIK3CA (0.35) PIK3CATHRB
SCHEMBL22568467 0.79 SCN9A (0.42) ELANESCN9ASYKMAPT
SCHEMBL22568464 0.78 HTR6 (0.40) ELANE
SCHEMBL22561698 0.76 HDAC8 (0.44) PIK3CAELANESCN9AALOX5
SCHEMBL28730199 0.75 ELANE (0.35) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230046680-A1 NOVEL HETEROARYL-SUBSTITUTED AMINOALKYL AZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-02-16 US disclosed
WO-2020212235-A1 NOVEL HETEROARYL-SUBSTITUTED AMINOALKYL AZOLE COMPOUNDS AS PESTICIDES BAYER ANIMAL HEALTH GMBH (DE) 2020-10-22 WO disclosed
EP-3725788-A1 NOVEL HETEROARYL-SUBSTITUTED AMINOALKYL AZOLE COMPOUNDS AS PESTICIDES Bayer AG (DE) 2020-10-21 EP 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 (1 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-20230046680-A1 NOVEL HETEROARYL-SUBSTITUTED AMINOALKYL AZOLE COMPOUNDS AS PESTICIDES DDT, CRY1, CYP4F3 PIK3CA 1987/4885ELANE 2180/4885SCN9A 1251/4885

“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.