SCHEMBL13006850

SCHEMBL13006850

CCSc1nn(C)c(=O)n1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.37
▸ TSHR P16473 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPK1 P28482 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL14372254 0.82 NPC1 (0.34) NPC1TSHRKMT2AMEN1RXFP1
SCHEMBL19601483 0.79 TSHR (0.34) NPC1TSHRKMT2AMEN1RXFP1
SCHEMBL14505866 0.78 MEN1 (0.36) KMT2AMEN1RXFP1GAA
SCHEMBL14505498 0.76 POLB (0.40) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL14505567 0.76 ALDH1A1 (0.34) NPC1TSHRALDH1A1HPGDHSD17B10
SCHEMBL19608723 0.76 PTGS1 (0.37) TSHRKMT2AMEN1ALDH1A1HPGD
SCHEMBL14505888 0.75 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1KDM4EMAPK1
SCHEMBL13208398 0.75 RXFP1 (0.34) NPC1KMT2AMEN1RXFP1ALDH1A1
SCHEMBL14505549 0.74 MEN1 (0.36) NPC1KMT2AMEN1RXFP1ALDH1A1
SCHEMBL9972653 0.68 GAA (0.35) NPC1TSHRALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 — — US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 — — US disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 — — WO disclosed
US-7855166-B2 Sulfonylamino(thio)carbonyl compounds BAYER CROPSCIENCE GMBH (DE) 2010-12-21 — — US disclosed
US-7855166-B2 Sulfonylamino(thio)carbonyl compounds BAYER CROPSCIENCE GMBH (DE) 2010-12-21 — — US disclosed
US-RE39607-E1 Herbicidal sulphonylamino(thio) carbonyl compounds BAYER AKTIENGESELLSCHAFT (DE) 2007-05-01 — — US disclosed
US-RE39607-E1 Herbicidal sulphonylamino(thio) carbonyl compounds BAYER AKTIENGESELLSCHAFT (DE) 2007-05-01 — — 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 (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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 2214/4885TSHR 4369/4885KMT2A 1850/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 1939/4885TSHR 4161/4885KMT2A 1891/4885

“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.

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