SCHEMBL6986721

SCHEMBL6986721

CC(=O)CCNc1ccc(I)cn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.45
TDP1 Q9NUW8 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
PTK2 Q05397 1/20 0.36
TDO2 P48775 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL18307133 0.78 HCAR3 (0.56) HCAR3SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL761089 0.74 PTK2 (0.62) TDP1PTK2TDO2SMN1; SMN2RAB9A
SCHEMBL26389397 0.74 APP (0.41) HCAR3TDO2SMN1; SMN2HPGDALDH1A1
SCHEMBL27823638 0.74 POLB (0.45) SMN1; SMN2ALDH1A1MAPT
SCHEMBL3754896 0.73 CYP2C19 (0.56) HCAR3TDO2SMN1; SMN2HPGD
SCHEMBL13589546 0.73 CYP2C19 (0.56) SMN1; SMN2HPGDALDH1A1RAB9A
SCHEMBL17082679 0.73 HCAR3 (0.53) HCAR3HCAR2SMN1; SMN2HPGDALDH1A1
SCHEMBL16609596 0.73 RAB9A (0.51) HCAR3SMN1; SMN2HPGDALDH1A1RAB9A
SCHEMBL4491782 0.73 BCHE (0.46) HCAR3TDP1
Methane SCHEMBL29283547 0.73 PTK2 (0.61) TDP1PTK2TDO2SMN1; SMN2RAB9A

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 HCAR3 2484/4885TDP1 2056/4885HCAR2 2697/4885

“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.