SCHEMBL5737404

SCHEMBL5737404

Fc1cccc(F)c1C1=NC(c2ccc(Br)cc2)CO1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NOS3 P29474 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8789519 0.87 TAAR1 (0.40) TAAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL23178721 0.86 TAAR1 (0.41) TAAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL23179843 0.85 TAAR1 (0.43) TAAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL23178803 0.85 MAPT (0.41) TAAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL5248789 0.85 MAPT (0.41) TAAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL23178806 0.82 ALDH1A1 (0.48) TAAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL8164187 0.81 MAPT (0.46) TAAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL8656596 0.81 MAPT (0.39) TAAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL5737830 0.81 MAPT (0.39) TAAR1MAPTALDH1A1NPC1RAB9A
SCHEMBL5735950 0.81 NPC1 (0.39) TAAR1MAPTALDH1A1NPC1RAB9A

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-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-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
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
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-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
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
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 (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-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 3869/4885ALDH1A1 127/4885
US-20030114501-A1 Arylisoxazoline derivatives, processes for their preparation and their use as pesticides CBR1, CBR3, CYP4X1 TAAR1 336/4885MAPT 4728/4885ALDH1A1 1316/4885

“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.