SCHEMBL6838430

SCHEMBL6838430

Cc1nccn1CCC(N)=NOC(=O)c1cnccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SSTR4 P31391 2/20 0.35
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
RBP4 P02753 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90B1 P14625 1/20 0.32
CD38 P28907 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 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
SCHEMBL6776846 0.73 MAPT (0.39) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL6776849 0.73 MAPT (0.39) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL6777522 0.73 MAPT (0.40) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL6777526 0.73 MAPT (0.40) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL6834579 0.69 ALDH1A1 (0.50) KMT2AALDH1A1POLBKDM4EHTT
SCHEMBL29638304 0.68 MAPT (0.48) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL28109640 0.68 MAPT (0.48) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL3093031 0.67 ALDH1A1 (0.54) NPC1KMT2AALDH1A1MAPTPOLB
SCHEMBL1178451 0.66 KMT2A (0.56) KMT2AALDH1A1POLBKDM4EHTT
SCHEMBL6781939 0.65 POLB (0.36) NPC1RAB9AKMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040009992-A1 Azolylalkylazole derivatives, their preparation, and their use as pesticides AVENTIS CROPSCIENCE GMBH (DE) 2004-01-15 US disclosed
EP-1244658-A2 AZOLYL-ALKYL AZOLE DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES Bayer CropScience GmbH (DE) 2002-10-02 EP disclosed
US-20020010098-A1 Azolylalkylazole derivatives, their preparation, and their use as pesticides AVENTIS CROPSCIENCE GMBH (DE) 2002-01-24 US disclosed
WO-2001047918-A2 AZOLYALKYL-OXA(DI)AZOLYL PYRI(MI)DINE DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 2001-07-05 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 (2 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-20020010098-A1 Azolylalkylazole derivatives, their preparation, and their use as pesticides ALPI, DDT, AADAC NPC1 4198/4885RAB9A 4291/4885KMT2A 518/4885
US-20040009992-A1 Azolylalkylazole derivatives, their preparation, and their use as pesticides ALPI, DDT, AADAC NPC1 4198/4885RAB9A 4291/4885KMT2A 518/4885

“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.