SCHEMBL2744554

SCHEMBL2744554

O=C(NCc1cccc(Br)c1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.45
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
OPRD1 P41143 1/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.41
ALOX5 P09917 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MTOR P42345 1/20 0.40
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40

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
SCHEMBL30971808 1.00 EPHX2 (0.52) EPHX2KMT2AMAPTSCN5ASCN9A
SCHEMBL18688054 0.86 EPHX2 (0.53) EPHX2KMT2AOPRD1FABP7FABP5
SCHEMBL19633130 0.86 EPHX2 (0.66) EPHX2KMT2AOPRD1FABP7FABP5
SCHEMBL3177417 0.86 KMT2A (0.62) EPHX2KMT2AOPRD1FABP7FABP5
SCHEMBL15372956 0.85 EPHX2 (0.52) EPHX2KMT2AOPRD1HPGD
SCHEMBL29618948 0.84 KMT2A (0.53) EPHX2KMT2AOPRD1NPC1FABP7
SCHEMBL525396 0.84 KMT2A (0.56) EPHX2KMT2AOPRD1FABP7FABP5
SCHEMBL29679265 0.84 KMT2A (0.53) EPHX2KMT2AOPRD1NPC1FABP7
SCHEMBL30422053 0.84 KMT2A (0.56) EPHX2KMT2AOPRD1FABP7FABP5
SCHEMBL119110 0.84 KMT2A (0.53) EPHX2KMT2AOPRD1NPC1FABP7

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-8178579-B2 Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-15 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 US disclosed
US-20030187027-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-02 US disclosed
WO-2002089782-A2 DIOXANES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2002-11-14 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 (3 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-20030187027-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 EPHX2 1183/4885KMT2A 178/4885MAPT 4449/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 EPHX2 1101/4885KMT2A 178/4885MAPT 4488/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 EPHX2 755/4885KMT2A 152/4885MAPT 4489/4885

“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.