SCHEMBL6986638

SCHEMBL6986638

Fc1cccc(F)c1C1=NC(c2ccc(Br)cc2)CS1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
NOS2 P35228 2/20 0.37
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 4/20 0.32
KCNH2 Q12809 2/20 0.32
MAOB P27338 2/20 0.32
RCOR1 Q9UKL0 2/20 0.32
KDM1B Q8NB78 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
SCHEMBL14410355 0.82 EGFR (0.38) NOS3TAAR1NFKB1NOS2KDM4E
SCHEMBL7939474 0.72 TAAR1 (0.38) NOS3TAAR1CYP1A2CYP3A4PKM
SCHEMBL6981645 0.72 TRPV3 (0.36) CYP1A2ALDH1A1KCNH2
SCHEMBL4142328 0.72 NOS3 (0.40) NOS3TAAR1CYP1A2CYP3A4PKM
SCHEMBL5218292 0.72 NOS3 (0.40) NOS3TAAR1CYP1A2CYP3A4PKM
SCHEMBL5737404 0.72 TAAR1 (0.54) NOS3TAAR1ALDH1A1LMNANPC1
SCHEMBL8063119 0.69 NOS3 (0.35) NOS3NOS2RAB9AMAPT
SCHEMBL14457975 0.69 NOS3 (0.37) NOS3TAAR1CYP1A2CYP3A4PKM
SCHEMBL8789519 0.69 TAAR1 (0.40) NOS3TAAR1NOS2ALDH1A1NPC1
SCHEMBL8626888 0.68 KDM1A (0.33) NOS3TAAR1NOS2KDM4EKDM1A

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 6 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
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 NOS3 454/4885TAAR1 628/4885CYP1A2 40/4885

“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.