SCHEMBL744042

SCHEMBL744042

Nc1ccc(OCCC(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.46
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MCHR1 Q99705 1/20 0.44
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KEAP1 Q14145 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 2/20 0.38
ALDH1A1 P00352 1/20 0.37
BRCA1 P38398 1/20 0.37
HBB P68871 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 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
SCHEMBL29837272 0.82 KDM4E (0.50) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL23634035 0.82 KDM4E (0.50) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL29516441 0.81 L3MBTL1 (0.56) EPHX2KDM4EMEN1KMT2APOLB
SCHEMBL10092 0.81 L3MBTL1 (0.56) EPHX2KDM4EMEN1KMT2APOLB
SCHEMBL29837259 0.81 KDM4E (0.48) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL29837257 0.81 KDM4E (0.48) KDM4EMEN1KMT2APOLBRAB9A
Hydrochloric Acid SCHEMBL1496776 0.80 L3MBTL1 (0.54) EPHX2KDM4EMEN1KMT2APOLB
SCHEMBL16943516 0.79 KDM4E (0.49) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL30461568 0.79 KDM4E (0.49) KDM4EMEN1KMT2APOLBRAB9A
SCHEMBL2716318 0.79 EPHX2 (0.48) EPHX2MCHR1L3MBTL1HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL EPHX2 2736/4885KDM4E 905/4885MEN1 2464/4885

“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.