SCHEMBL21649286

SCHEMBL21649286

Cc1cccc(C)c1N1C(=O)CS/C1=N\N=C\C(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BLM P54132 1/20 0.38
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
GAA P10253 1/20 0.35

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
SCHEMBL22902075 0.86 KMT2A (0.46) HTTKMT2AMEN1CYP3A4CYP2C9
SCHEMBL21649285 0.85 KMT2A (0.44) HTTKMT2AMEN1CYP3A4CYP2C9
SCHEMBL20285621 0.83 HTT (0.41) HTTKMT2AMEN1CYP3A4CYP2C9
SCHEMBL945276 0.80 S1PR1 (0.42) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL945274 0.80 S1PR1 (0.42) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL23986071 0.79 MAPK1 (0.56) HTTKMT2AMEN1CYP3A4CYP2C9
SCHEMBL21649287 0.78 FAAH (0.43) HTTKMT2AMEN1CYP3A4CYP2C9
SCHEMBL22052964 0.75 MAPK1 (0.44) HTTKMT2AMEN1CYP3A4CYP2C9
SCHEMBL21928900 0.74 MAPT (0.39) HTTKMT2AMEN1CYP3A4CYP2C9
SCHEMBL22902079 0.74 MAPT (0.39) HTTKMT2AMEN1CYP3A4CYP2C9

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
EP-3601231-B1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-10 EP disclosed
US-11160280-B2 Pesticial compounds BASF SE (DE) 2021-11-02 US disclosed
US-20210070713-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2021-03-11 US disclosed
US-20200029566-A1 Pesticial Compounds BASF SE (DE) 2020-01-30 US 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 (3 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-11160280-B2 Pesticial compounds PNMT, DDT, NIT2 HTT 343/4885KMT2A 3200/4885MEN1 526/4885
US-20210070713-A1 PESTICIDAL COMPOUNDS CAT, NIT2, PNMT HTT 313/4885KMT2A 3594/4885MEN1 982/4885
US-20200029566-A1 Pesticial Compounds PNMT, DDT, NIT2 HTT 343/4885KMT2A 3200/4885MEN1 526/4885

“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.