SCHEMBL17409841

SCHEMBL17409841

CSc1c(C(F)(F)F)ccc(C(=O)Nc2nonc2C)c1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
RAB9A P51151 6/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.35
SORT1 Q99523 2/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL17409846 0.84 NPC1 (0.46) NPC1RAB9ARXFP1KMT2APOLB
SCHEMBL17409847 0.82 NPC1 (0.46) NPC1RAB9ARXFP1KMT2APOLB
SCHEMBL16293630 0.81 NPC1 (0.41) NPC1RAB9ARXFP1KMT2APOLB
SCHEMBL29489588 0.80 NPC1 (0.41) NPC1RAB9ARXFP1KMT2APOLB
SCHEMBL16739373 0.80 NPC1 (0.41) NPC1RAB9ARXFP1KMT2APOLB
SCHEMBL16915424 0.79 NPC1 (0.42) NPC1RAB9ARXFP1KMT2APOLB
SCHEMBL17413646 0.77 KDM4E (0.41) NPC1RAB9AKMT2ATMPRSS4SORT1
SCHEMBL31579375 0.76 CSNK2A2 (0.35) NPC1RAB9ARXFP1CYP1A2TMPRSS4
SCHEMBL15786297 0.76 SORT1 (0.38) RXFP1TMPRSS4SORT1HTT
SCHEMBL16585888 0.76

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-3160946-B1 HERBICIDAL BENZOIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP disclosed
US-9951028-B2 Agricultural chemicals REDAG CROP PROTECTION LTD. (GB) 2018-04-24 US disclosed
US-9951028-B2 Agricultural chemicals REDAG CROP PROTECTION LTD. (GB) 2018-04-24 US disclosed
US-9951028-B2 Agricultural chemicals REDAG CROP PROTECTION LTD. (GB) 2018-04-24 US disclosed
US-20160214945-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2016-07-28 US disclosed
US-20160214945-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2016-07-28 US disclosed
US-20160214945-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2016-07-28 US disclosed
WO-2016001074-A1 HERBICIDALLY ACTIVE BENZOIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2016-01-07 WO 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-20160214945-A1 AGRICULTURAL CHEMICALS DDT, DHFR, AS3MT NPC1 4410/4885RAB9A 3951/4885RXFP1 3735/4885

“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.