SCHEMBL12548754

SCHEMBL12548754

O=C(CS)c1cccc2nnsc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
GAA P10253 3/20 0.32
KDM4E B2RXH2 2/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 4/20 0.31
POLB P06746 3/20 0.30
PRMT3 O60678 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
SUV39H2 Q9H5I1 1/20 0.30
EHMT1 Q9H9B1 1/20 0.30
NPC1 O15118 3/20 0.30
RAB9A P51151 3/20 0.30
MGAM O43451 2/20 0.30
AMY1A P0DUB6 2/20 0.30
SI P14410 2/20 0.30
MGAM2 Q2M2H8 2/20 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
SCHEMBL8049842 0.84 PTPN1 (0.44) MAPTSMN1; SMN2TP53GAATHRB
SCHEMBL73948 0.81 MAPT (0.36) MAPTSMN1; SMN2TP53GAAKDM4E
SCHEMBL7243970 0.80 PKM (0.37) MAPTSMN1; SMN2TP53ALDH1A1POLB
Hydrochloric Acid SCHEMBL17701156 0.80 MAPT (0.35) MAPTSMN1; SMN2TP53GAAKDM4E
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL2455715 0.80 ALDH1A1 (0.44) MAPTSMN1; SMN2TP53KDM4EMEN1
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL9084433 0.78 ALDH1A1 (0.43) MAPTSMN1; SMN2TP53KDM4EMEN1
SCHEMBL3743974 0.78 PARP1 (0.40) MAPTSMN1; SMN2TP53GAAKDM4E
SCHEMBL8051642 0.78 MAPT (0.45) MAPTSMN1; SMN2TP53THRBMEN1
SCHEMBL7555956 0.78 MAPT (0.39) MAPTSMN1; SMN2TP53KDM4ETHRB
SCHEMBL4031502 0.77 GAA (0.44) MAPTSMN1; SMN2TP53GAAKDM4E

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-9445601-B2 Fungicide active substance combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-20 US disclosed
US-20160106105-A1 FUNGICIDE ACTIVE SUBSTANCE COMBINATIONS BAYER IP GMBH (DE) 2016-04-21 US disclosed
US-9253982-B2 Fungicide active substance combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
US-20140364469-A1 Fungicide Active Substance Combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-11 US disclosed
US-8846738-B2 Fungicide active substance combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-30 US disclosed
US-20140066407-A1 Fungicide Active Substance Combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-06 US disclosed
US-20130296389-A1 Fungicide Active Substance Combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-07 US disclosed
US-20130190371-A1 Fungicide Active Substance Combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-7956009-B2 Fungicidal combinations of active substances BAYER CROPSCIENCE AG (DE) 2011-06-07 US disclosed
US-20090306109-A1 FUNGICIDE ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-12-10 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 (6 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-20140364469-A1 Fungicide Active Substance Combinations DDT, CYP4X1, CYP51A1 MAPT 3711/4885SMN1; SMN2 3571/4885TP53 4650/4885
US-20140066407-A1 Fungicide Active Substance Combinations DDT, CYP4X1, CYP51A1 MAPT 3711/4885SMN1; SMN2 3571/4885TP53 4650/4885
US-20160106105-A1 FUNGICIDE ACTIVE SUBSTANCE COMBINATIONS DDT, CYP4X1, CYP51A1 MAPT 3711/4885SMN1; SMN2 3571/4885TP53 4650/4885
US-20130296389-A1 Fungicide Active Substance Combinations DDT, CYP4X1, CYP1B1 MAPT 3594/4885SMN1; SMN2 3445/4885TP53 4640/4885
US-20090306109-A1 FUNGICIDE ACTIVE SUBSTANCE COMBINATIONS DDT, CYP4X1, CYP51A1 MAPT 3711/4885SMN1; SMN2 3571/4885TP53 4650/4885
US-20130190371-A1 Fungicide Active Substance Combinations DDT, CYP4X1, CYP1B1 MAPT 4061/4885SMN1; SMN2 3184/4885TP53 4725/4885

“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.