SCHEMBL3114153

SCHEMBL3114153

Cc1nn(C)c(F)c1C(=O)Nc1ccsc1C(C)CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.32
FFAR2 O15552 1/20 0.31
TSHR P16473 2/20 0.31
TP53 P04637 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
SCHEMBL3108352 0.88 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8521186 0.87 L3MBTL1 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL12882340 0.87 LMNA (0.45) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL3117691 0.82 ALDH1A1 (0.33) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL3117713 0.81 MAPT (0.37) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL14364833 0.81 NPC1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL30402262 0.81 NPC1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL868689 0.81 NPC1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL29397907 0.81 NPC1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL69448 0.81 NPC1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2010-10-28 US claimed
EP-1871167-A2 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience AG (DE) 2008-01-02 EP claimed
WO-2006105888-A2 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-10-12 WO claimed
US-8575064-B2 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG (DE) 2013-11-05 US disclosed
US-20130281496-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
CN-102907432-A Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG 2013-02-06 CN disclosed
US-20110046123-A1 Pesticidal Mixtures BASF SE (DE) 2011-02-24 US disclosed
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2010-10-28 US disclosed
EP-1871167-A2 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience AG (DE) 2008-01-02 EP disclosed
WO-2006105888-A2 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-10-12 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 (8 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-20130281496-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 CYP1A2 3/4885CYP3A4 45/4885CYP2C9 88/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 CYP1A2 3/4885CYP3A4 45/4885CYP2C9 88/4885
US-20110046123-A1 Pesticidal Mixtures FSHR, PRLHR, QRFPR CYP1A2 1298/4885CYP3A4 1385/4885CYP2C9 1187/4885
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations CAT, CYP1A2, GABBR1 CYP1A2 2/4885CYP3A4 47/4885CYP2C9 88/4885
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 CYP1A2 3/4885CYP3A4 45/4885CYP2C9 88/4885
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 CYP1A2 3/4885CYP3A4 45/4885CYP2C9 88/4885
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 CYP1A2 3/4885CYP3A4 45/4885CYP2C9 88/4885
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 CYP1A2 3/4885CYP3A4 45/4885CYP2C9 88/4885

“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.