SCHEMBL6506050

SCHEMBL6506050

CC(C)(C)c1noc(-c2ccc(N)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.61
AOC3 Q16853 2/20 0.50
BCHE P06276 1/20 0.49
PIK3CG P48736 1/20 0.47
NPC1 O15118 9/20 0.44
RAB9A P51151 9/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GFER P55789 2/20 0.41
ALOX5AP P20292 2/20 0.40
DGAT1 O75907 1/20 0.40
KCNH2 Q12809 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL5643986 0.84 NR1H4 (0.51) ACHEAOC3PIK3CGNPC1RAB9A
SCHEMBL77062 0.84 NPC1 (0.61) AOC3NPC1RAB9AMAPTHPGD
SCHEMBL21914357 0.82 NPC1 (0.50) ACHEAOC3PIK3CGNPC1RAB9A
SCHEMBL26262564 0.82 AOC3 (0.50) ACHEAOC3PIK3CGNPC1RAB9A
SCHEMBL19625438 0.82 NR1H4 (0.56) AOC3PIK3CGNPC1RAB9AMAPT
SCHEMBL77636 0.81 NR1H4 (0.57) AOC3NPC1RAB9AMAPTHPGD
SCHEMBL15132141 0.80 RAB9A (0.61) AOC3NPC1RAB9AMAPTHPGD
SCHEMBL77091 0.79 LMNA (0.59) AOC3NPC1RAB9AMAPTHPGD
SCHEMBL77575 0.79 NPC1 (0.58) AOC3NPC1RAB9AMAPTHPGD
SCHEMBL20567552 0.79 AOC3 (0.44) ACHEAOC3PIK3CGNPC1RAB9A

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-20050107456-A1 Substituted pyrazolines for use as pesticides BAYER CROPSCIENCE AG (DE) 2005-05-19 US disclosed
EP-1467971-A1 SUBSTITUTED PYRAZOLINES FOR USE AS PESTICIDES Bayer CropScience AG (DE) 2004-10-20 EP disclosed
WO-2003059887-A1 SUBSTITUTED PYRAZOLINES FOR USE AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-07-24 WO disclosed
WO-2003016293-A1 OXADIAZOLYL AND THIADIAZOLYL BENZOYL UREAS AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-02-27 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-20050107456-A1 Substituted pyrazolines for use as pesticides DDT, ACHE, CHRM1 ACHE 2/4885AOC3 486/4885BCHE 61/4885

“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.