SCHEMBL5162176

SCHEMBL5162176

Cc1nc(C(F)(F)F)ccc1-c1oncc1C(=O)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CXCR4 P61073 1/20 0.37
GAA P10253 1/20 0.36
HCRTR1 O43613 6/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
THRB P10828 1/20 0.34
PIM1 P11309 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
AGTR1 P30556 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
SCHEMBL7456713 0.76 CXCR4 (0.41) KDM4ECXCR4HCRTR1LMNA
SCHEMBL7453961 0.75 KDM4E (0.34) KDM4ECXCR4HCRTR1LMNANPC1
SCHEMBL9115252 0.73 TRPV1 (0.47) LMNANPC1RAB9AGMNNTP53
SCHEMBL9116747 0.72 MEN1 (0.42) GAAPIM1
SCHEMBL5161145 0.71 DHODH (0.43) CRACR2AGAALMNANPC1RAB9A
SCHEMBL9113721 0.70 RXRA (0.37) LMNANPC1RAB9AGMNNTP53
SCHEMBL9116453 0.70 CYP11B1 (0.42) CYP1A2CYP3A4
SCHEMBL8890522 0.70 PTGDR2 (0.38)
SCHEMBL8041945 0.70 AR (0.30)
SCHEMBL9117428 0.70 WDR5 (0.39) CRACR2AKDM4EGAAPDK2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758896-A1 PYRIDINYL-ISOXAZOLES AND THEIR USE AS HERBICIDES Bayer CropScience GmbH (DE) 2007-03-07 EP disclosed
WO-2005123726-A1 PYRIDINYL-ISOXAZOLES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2005-12-29 WO disclosed
US-20050282707-A1 Pyridinylisoxazoles and their use as herbicides BAYER CROPSCIENCE GMBH (DE) 2005-12-22 US 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-20050282707-A1 Pyridinylisoxazoles and their use as herbicides PRDX1, CYP4X1, PRDX4 CRACR2A 4797/4885KDM4E 2037/4885CXCR4 2772/4885

“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.