SCHEMBL2362756

SCHEMBL2362756

CCOC(=O)c1nn(C)c(C(=O)OCC)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ELANE P08246 5/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
LMNA P02545 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL13365015 0.86 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL4227499 0.86 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL4216644 0.86 KDM4E (0.40) KDM4EALDH1A1HDAC4HDAC6HDAC3
SCHEMBL13365021 0.84 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11900091 0.84 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2363209 0.82 KDM4E (0.39) KDM4EALDH1A1HPGDHDAC4HDAC6
SCHEMBL2362194 0.82 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL30685681 0.82 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHDAC4HDAC6
SCHEMBL2363213 0.81 KDM4E (0.40) KDM4EALDH1A1HPGDHDAC4HDAC6
SCHEMBL2363228 0.81 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10KMT2A

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
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP disclosed
US-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 US disclosed
US-8946234-B2 Halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2015-02-03 US disclosed
US-20110301181-A1 halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2011-12-08 US disclosed
EP-2352723-A2 HALOGEN-SUBSTITUTED COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-08-10 EP disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 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-20110301181-A1 halogen-substituted compounds L3MBTL4, QSOX1, L3MBTL3 KDM4E 2403/4885ALDH1A1 457/4885HPGD 3632/4885
US-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 KDM4E 1987/4885ALDH1A1 522/4885HPGD 4171/4885

“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.