SCHEMBL1879166

SCHEMBL1879166

CC(C)(C)N(C(=O)O)c1ccsc1-c1ccc(Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGDS O60760 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL17440232 0.73 LMNA (0.37) ALDH1A1KDM4ERAB9AKMT2AMEN1
SCHEMBL29034266 0.72 GBA1 (0.46) ALDH1A1KDM4ERAB9ANPC1KMT2A
SCHEMBL12640161 0.68 METAP1 (0.44) RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL1875012 0.68 LMNA (0.37) ALDH1A1KDM4ERAB9A
SCHEMBL12640160 0.67 NPC1 (0.38) ALDH1A1KDM4ERAB9ANPC1KMT2A
SCHEMBL2898172 0.67 KDM4E (0.36) ALDH1A1KDM4E
SCHEMBL1648161 0.66 PTGDR2 (0.36) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL1878926 0.66 ADRA2A (0.33) ALDH1A1KDM4ERAB9ANPC1KMT2A
SCHEMBL17440276 0.65 LMNA (0.35) ALDH1A1KDM4E
SCHEMBL2191688 0.64 RAB9A (0.37) ALDH1A1KDM4ERAB9AKMT2AMAPT

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-20110105564-A1 THIENYLPYRIDYLCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
EP-1965640-A2 THIENYLPYRIDYL CARBOXAMIDES Bayer CropScience AG (DE) 2008-09-10 EP disclosed
WO-2007068374-A2 THIENYLPYRIDYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2007-06-21 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 (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-20110105564-A1 THIENYLPYRIDYLCARBOXAMIDES TPI1, PGLS, TYMS ALDH1A1 444/4885KDM4E 1321/4885RAB9A 3498/4885

“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.