SCHEMBL3105571

SCHEMBL3105571

Cn1cc(C(=O)Nc2ccsc2CCC(C)(C)C)c(C(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PRNP P04156 1/20 0.31
PPARG P37231 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOR2 Q9Y618 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
SCHEMBL3115186 0.86 LMNA (0.32) LMNAMAPTHTTL3MBTL1PRNP
SCHEMBL3117748 0.84 WDR5 (0.32) LMNAMAPTPRNPPPARGNPSR1
SCHEMBL3100950 0.82 IRAK4 (0.38)
SCHEMBL5078618 0.81 SLC16A3 (0.38) LMNARXFP1
SCHEMBL3114988 0.80 LMNA (0.31) LMNAMAPTHTTL3MBTL1PRNP
SCHEMBL3116805 0.77 ATM (0.32) PRNPPPARGNPSR1RXFP1NCOR2
SCHEMBL3117837 0.77 LMNA (0.52) LMNA
SCHEMBL3113328 0.75 LMNA (0.32) LMNAMAPTHTTL3MBTL1PRNP
SCHEMBL3112202 0.72 NNMT (0.34) L3MBTL1NPSR1
SCHEMBL14176574 0.72 DHODH (0.38) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160227778-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER IP GMBH (DE) 2016-08-11 US disclosed
US-8575064-B2 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG (DE) 2013-11-05 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-20130281496-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
US-20080139389-A1 Seed Dressing for Controlling Phytopathogenic Fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-06-12 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 (9 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 LMNA 3819/4885MAPT 4293/4885HTT 4294/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885MAPT 4293/4885HTT 4294/4885
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations CAT, CYP1A2, GABBR1 LMNA 3876/4885MAPT 4023/4885HTT 4275/4885
US-20160227778-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI DPM1, MGAM, SUCLG1 LMNA 4814/4885MAPT 2560/4885HTT 2888/4885
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885MAPT 4293/4885HTT 4294/4885
US-20080139389-A1 Seed Dressing for Controlling Phytopathogenic Fungi DPM1, MGAM, SUCLG1 LMNA 4814/4885MAPT 2560/4885HTT 2888/4885
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885MAPT 4293/4885HTT 4294/4885
US-20130274101-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885MAPT 4293/4885HTT 4294/4885
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 LMNA 3819/4885MAPT 4293/4885HTT 4294/4885

“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.