SCHEMBL16401018

SCHEMBL16401018

Cc1ccc(NC(=O)NS/N=C/c2ccc3c(c2)CCc2c-3noc2-c2ccc(OC(F)(F)F)cc2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
SMURF2 Q9HAU4 7/20 0.35
SMURF1 Q9HCE7 7/20 0.35
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 1/20 0.34
S1PR1 P21453 6/20 0.34
TP53 P04637 1/20 0.34
KIT P10721 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
S1PR3 Q99500 4/20 0.33
THRB P10828 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL16401571 0.89 SMURF2 (0.39) SMURF2SMURF1IP6K1IP6K3IP6K2
SCHEMBL16400914 0.88 TP53 (0.39) MAPTSMURF2SMURF1IP6K1IP6K3
SCHEMBL16400284 0.88 SMURF2 (0.36) MAPTSMURF2SMURF1IP6K1IP6K3
SCHEMBL16401040 0.85 TRPV1 (0.36) MAPTSMURF2SMURF1IP6K1IP6K3
SCHEMBL16401106 0.85 S1PR1 (0.38) MAPTSMURF2SMURF1IP6K1IP6K3
SCHEMBL16400718 0.84 SMURF2 (0.36) MAPTSMURF2SMURF1IP6K1IP6K3
SCHEMBL16401266 0.84 SMURF2 (0.40) MAPTSMURF2SMURF1IP6K1IP6K3
SCHEMBL19315819 0.84 S1PR1 (0.36) MAPTSMURF2SMURF1IP6K1IP6K3
SCHEMBL16401020 0.84 ALOX12 (0.44) MAPTIP6K1IP6K3IP6K2S1PR1
SCHEMBL16401021 0.84 ALOX12 (0.44) MAPTIP6K1IP6K3IP6K2S1PR1

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
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP claimed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US claimed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US claimed
EP-3022185-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2016-05-25 EP claimed
WO-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 WO claimed
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 MAPT 782/4885SMURF2 3631/4885SMURF1 3269/4885

“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.