SCHEMBL2744370

SCHEMBL2744370

O=Cc1ccc(-c2ccccc2CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
EPHX2 P34913 1/20 0.44
CASP3 P42574 2/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
FABP7 O15540 2/20 0.39
FABP5 Q01469 2/20 0.39
FABP3 P05413 1/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL30466803 0.88 EPHX2 (0.47) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL20530636 0.88 EPHX2 (0.47) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL2744215 0.86 KMT2A (0.52) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL7920181 0.85 KMT2A (0.52) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL2745012 0.83 EPHX2 (0.46) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL2744246 0.81 KMT2A (0.46) KMT2AEPHX2CASP3DRD2DRD4
SCHEMBL20530654 0.81 KMT2A (0.46) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL30466812 0.81 KMT2A (0.46) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL20530627 0.80 EPHX2 (0.47) KMT2AEPHX2FABP7FABP5FABP3
SCHEMBL28764480 0.80 KMT2A (0.48) KMT2AEPHX2CASP3FABP7FABP5

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 KMT2A 178/4885EPHX2 1183/4885CASP3 4044/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 KMT2A 178/4885EPHX2 1101/4885CASP3 4036/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 KMT2A 152/4885EPHX2 755/4885CASP3 4101/4885

“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.