SCHEMBL13201981

SCHEMBL13201981

Cc1nc(-c2ccccc2F)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.43
HSD11B1 P28845 1/20 0.42
PDE10A Q9Y233 3/20 0.41
PDE2A O00408 2/20 0.41
MBNL1 Q9NR56 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
POLB P06746 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37

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
SCHEMBL10941820 0.84 NPC1 (0.49) HSD11B1PDE10APDE2AMBNL1NPC1
SCHEMBL24407519 0.79 GAA (0.40) HSD11B1PDE10APDE2AGAAPOLB
SCHEMBL10939886 0.77 HSD11B1 (0.46) HSD11B1PDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL31381570 0.76 POLB (0.42) ADRA1ASMN1; SMN2ALDH1A1POLBMEN1
SCHEMBL12776147 0.76 GRM2 (0.38) HSD11B1PDE10APDE2ATDP1NPC1
SCHEMBL9829686 0.75 HSD11B1 (0.50) HSD11B1TDP1NPC1RAB9APTGS2
SCHEMBL24409852 0.74 HDAC6 (0.37) ADRA1APDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL10939995 0.73 NPC1 (0.41) HSD11B1MBNL1NPC1RAB9AGAA
SCHEMBL7297002 0.73 TDP1 (0.45) HSD11B1PDE10APDE2ATDP1ALDH1A1
SCHEMBL679761 0.72 NR1H3 (0.68) NPC1RAB9AHSD17B10NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9968091-B2 Selective herbicides based on substituted thien-3-yl-sulphonylamino(thio)carbonyltriazolin(thi)ones and safeners BAYER CROPSCIENCE AG (DE) 2018-05-15 US disclosed
US-9968091-B2 Selective herbicides based on substituted thien-3-yl-sulphonylamino(thio)carbonyltriazolin(thi)ones and safeners BAYER CROPSCIENCE AG (DE) 2018-05-15 US disclosed
US-20130237418-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED THIEN-3-YL-SULPHONYLAMINO(THIO)CARBONYLTRIAZOLIN(THI)ONES AND SAFENERS BAYER CROPSCIENCE AG (DE) 2013-09-12 US disclosed
US-20130237418-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED THIEN-3-YL-SULPHONYLAMINO(THIO)CARBONYLTRIAZOLIN(THI)ONES AND SAFENERS BAYER CROPSCIENCE AG (DE) 2013-09-12 US disclosed
US-7776791-B2 N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-08-17 US disclosed
US-7776791-B2 N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-08-17 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 (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-20130237418-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED THIEN-3-YL-SULPHONYLAMINO(THIO)CARBONYLTRIAZOLIN(THI)ONES AND SAFENERS TARS2, TST, TARS1 ADRA1A 3325/4885HSD11B1 3180/4885PDE10A 4188/4885

“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.