SCHEMBL3108352

SCHEMBL3108352

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
FPR1 P21462 2/20 0.30
ALDH1A1 P00352 2/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL3114153 0.88 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL14364834 0.81 PKM (0.39) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL14364835 0.81 PKM (0.39) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL169663 0.81 PKM (0.39) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL29392856 0.81 PKM (0.39) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL17999731 0.80 ATM (0.49) CYP1A2CYP2C19CYP2C9LMNAMEN1
SCHEMBL3116588 0.79 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C19CYP2C9LMNA
SCHEMBL3110958 0.78 CCR8 (0.32) MEN1KMT2AHPGDHSD17B10KDM4E
Formic Acid SCHEMBL28074001 0.78 PKM (0.38) CYP1A2CYP3A4CYP2C19CYP2C9MEN1
SCHEMBL3118649 0.78 IRAK4 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130274099-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-20130274100-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
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2010-10-28 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 (7 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 45/4885CYP2C19 62/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 CYP1A2 3/4885CYP3A4 45/4885CYP2C19 62/4885
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations CAT, CYP1A2, GABBR1 CYP1A2 2/4885CYP3A4 47/4885CYP2C19 58/4885
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 CYP1A2 3/4885CYP3A4 45/4885CYP2C19 62/4885
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 CYP1A2 3/4885CYP3A4 45/4885CYP2C19 62/4885
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 CYP1A2 3/4885CYP3A4 45/4885CYP2C19 62/4885
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 CYP1A2 3/4885CYP3A4 45/4885CYP2C19 62/4885

“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.