SCHEMBL6988543

SCHEMBL6988543

Clc1ccccc1C1=NC(c2ccc(Br)cc2)CO1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.51
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
INPP5D Q92835 1/20 0.43
POLB P06746 2/20 0.41

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
SCHEMBL9627687 0.79 TAAR1 (0.62) TAAR1MAPTSMN1; SMN2ALDH1A1INPP5D
SCHEMBL5758263 0.78 TAAR1 (0.53) TAAR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7583720 0.76 MAPT (0.42) TAAR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8415982 0.76 MAPT (0.42) TAAR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7689039 0.76 MAPT (0.61) TAAR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29708126 0.76 MAPT (0.61) TAAR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28695196 0.76 MAPT (0.54) TAAR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28695201 0.76 MAPT (0.54) TAAR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7583001 0.76 ALDH1A1 (0.41) TAAR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7584899 0.75 NPC1 (0.40) TAAR1MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670307-B2 Such as 2-(2,6-difluorophenyl)-4-(4-(2-ethoxypyridin-5-yl) phenyl)oxazoline; for administration to livestock HOECHST SCHERING AGREVO GMBH (DE) 2003-12-30 US disclosed
EP-1087967-B1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2003-10-22 EP disclosed
US-20020068828-A1 1,3-oxazoline and 1,3-thiazoline derivatives, their preparation, and their use as pesticides BAYER CROPSCIENCE AG (DE) 2002-06-06 US disclosed
CN-1305476-A 1,3-oxazoline and 1,3-thiazoline derivatives, method for producing the same and their use as pesticides AVENTIS CORP SCIENCE GMBH (DE) 2001-07-25 CN disclosed
US-6265350-B1 CONTROLLING HARMFUL FUNGI, INSECTS, ACARINA, MOLLUSKS AND NEMATODES HOECHST SCHERING AGREVO GMBH (DE) 2001-07-24 US disclosed
EP-1087967-A1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES Aventis CropScience GmbH (DE) 2001-04-04 EP disclosed
WO-1999065901-A1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 1999-12-23 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-20020068828-A1 1,3-oxazoline and 1,3-thiazoline derivatives, their preparation, and their use as pesticides MT-CO1, OXA1L, MT-CO3 TAAR1 628/4885MAPT 3869/4885SMN1; SMN2 1719/4885

“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.