SCHEMBL5734091

SCHEMBL5734091

CC(C)(C)C1=NOC(c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.35
NOS3 P29474 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 3/20 0.33
CYP2D6 P10635 1/20 0.33
NOS2 P35228 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.31

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
SCHEMBL5735760 0.84 MAPT (0.40) MAPTNOS3ALDH1A1NPC1RAB9A
SCHEMBL23179843 0.77 TAAR1 (0.43) MAPTNOS3ALDH1A1NPC1RAB9A
SCHEMBL5737391 0.76 NPC1 (0.38) MAPTNOS3ALDH1A1NPC1RAB9A
SCHEMBL5735323 0.75 ALDH1A1 (0.41) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5248789 0.74 MAPT (0.41) MAPTNOS3ALDH1A1NPC1RAB9A
SCHEMBL23178803 0.74 MAPT (0.41) MAPTNOS3ALDH1A1NPC1RAB9A
SCHEMBL5737404 0.74 TAAR1 (0.54) MAPTNOS3ALDH1A1NPC1RAB9A
SCHEMBL29605577 0.74 MAPT (0.38) MAPTNOS3ALDH1A1NPC1RAB9A
SCHEMBL394140 0.74 MAPT (0.38) MAPTNOS3ALDH1A1NPC1RAB9A
SCHEMBL83319 0.74 NPC1 (0.46) MAPTNOS3ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390356-B1 ARYLISOXAZOLINE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2006-05-31 EP disclosed
EP-1390356-A1 ARYLISOXAZOLINE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AS PESTICIDES Bayer CropScience GmbH (DE) 2004-02-25 EP disclosed
US-6645984-B2 Mixtures of insecticides, miticides, nematocides, attractants, sterilizers, nematocides, fungicides or molluscides, used for protecting plants and/or seeds, or seals, paints, lubricants for metal working, drilling or cutting oil additives AVENTIS CROPSCIENCE GMBH (DE) 2003-11-11 US disclosed
US-20030114501-A1 Arylisoxazoline derivatives, processes for their preparation and their use as pesticides MERIAL, INC. 2003-06-19 US disclosed
WO-2002076956-A1 ARYLISOXAZOLINE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2002-10-03 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-20030114501-A1 Arylisoxazoline derivatives, processes for their preparation and their use as pesticides CBR1, CBR3, CYP4X1 TSHR 642/4885MAPT 4728/4885NOS3 467/4885

“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.