SCHEMBL2778352

SCHEMBL2778352

CCOC(=O)c1onc(C2(Br)CCCCC2)c1CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.39
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
CACNA1F O60840 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
HTR2B P41595 2/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL3663345 0.88 PLK1 (0.32) PLK1
SCHEMBL30999039 0.73 HTT (0.39) ALDH1A1KDM4EMAPTNPSR1HPGD
SCHEMBL2773576 0.73 POLB (0.37) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL2777897 0.73 PLK1 (0.46) PLK1ALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL3532745 0.72 NPC1 (0.40) PLK1ALDH1A1KDM4EMAPTNPSR1
SCHEMBL7160366 0.72 PLK1 (0.45) PLK1ALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL7164408 0.72 PLK1 (0.45) PLK1ALDH1A1KDM4EMAPTNPSR1
SCHEMBL2776180 0.67 GABRA5 (0.54) PLK1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2779037 0.66 PLK1 (0.45) PLK1ALDH1A1NPSR1HPGDHSD17B10
SCHEMBL2773522 0.65 KDM4E (0.47) PLK1ALDH1A1KDM4EMAPTNPSR1

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
US-20180139962-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-24 US claimed
EP-3298000-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS Bayer CropScience Aktiengesellschaft (DE) 2018-03-28 EP claimed
WO-2016184941-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-11-24 WO claimed
US-20180139962-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-24 US disclosed
EP-3298000-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS Bayer CropScience Aktiengesellschaft (DE) 2018-03-28 EP disclosed
WO-2016184941-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-11-24 WO disclosed
EP-2227475-B1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN INC (US) 2014-02-19 EP disclosed
US-8269008-B2 Oxazolopyridine and isoxazolopyridine derivatives for use in the treatment of HIF-mediated conditions FIBROGEN, INC. (US) 2012-09-18 US disclosed
US-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2010-12-02 US disclosed
EP-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 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-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS HIF1AN, HIF1A, EGLN2 PLK1 4191/4885ALDH1A1 219/4885KDM4E 710/4885
US-20180139962-A1 FUNGICIDAL N-CYCLOALKYL-N-{[ORTHO-(1-SUBSTITUTED-CYCLOALKYL)HETEROARYL]METHYL}PYRAZOLE(THIO)CARBOXAMIDS CBR3, CYP51A1, CBR1 PLK1 4400/4885ALDH1A1 1665/4885KDM4E 1169/4885

“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.