SCHEMBL16400289

SCHEMBL16400289

CN1N=C2c3ccc(C=O)cc3CCC2C1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 6/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NR3C2 P08235 3/20 0.35
PTGS2 P35354 3/20 0.35
PTGS1 P23219 1/20 0.33
FAAH O00519 1/20 0.32
EPHX2 P34913 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL16400155 0.90 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16409697 0.86 KDM4E (0.46) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16401008 0.85 KDM4E (0.52) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL19315732 0.81 KDM4E (0.44) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16401341 0.77 LMNA (0.42) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16401342 0.77 LMNA (0.42) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16401052 0.77 KDM4E (0.41) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16401050 0.77 KDM4E (0.41) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL16401561 0.71 PTGS2 (0.39) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL19315685 0.69 NPC1 (0.32) KDM4ENPC1RAB9AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP disclosed
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-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US 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
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US disclosed
EP-3022185-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2016-05-25 EP disclosed
WO-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 WO disclosed
WO-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 KDM4E 3731/4885NPC1 928/4885RAB9A 197/4885

“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.