SCHEMBL12068720

SCHEMBL12068720

O=C(O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)c(OCc2ccccc2)c1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MYC P01106 5/20 0.85
MAX P61244 4/20 0.85
EP300 Q09472 1/20 0.64
HIF1A Q16665 1/20 0.64
AKR1C3 P42330 1/20 0.61
AKR1C2 P52895 1/20 0.61
AKR1C1 Q04828 1/20 0.61
AR P10275 1/20 0.58
PELP1 Q8IZL8 1/20 0.58
HCAR3 P49019 1/20 0.57
BRD4 O60885 6/20 0.56
CYP19A1 P11511 1/20 0.55
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL30082870 0.89 MYC (0.67) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL528177 0.89 MYC (0.67) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL7342694 0.86 MYC (0.68) MYCMAXEP300HIF1AAKR1C3
SCHEMBL8534866 0.84 MYC (0.62) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL12068675 0.83 MYC (1.00) MYCMAXEP300HIF1AAKR1C3
SCHEMBL7050463 0.83 MYC (0.61) MYCMAXEP300HIF1AAKR1C3
SCHEMBL8534870 0.82 MYC (0.60) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL15025621 0.81 MYC (0.66) MYCMAXEP300HIF1AAKR1C3
SCHEMBL3109633 0.81 BRD4 (0.64) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL13297754 0.81 CYP19A1 (0.75) MYCMAXBRD4CYP19A1MAPT

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-9856206-B2 Oligo-benzamide compounds and their use THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-01-02 US disclosed
US-20160130217-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-12 US disclosed
US-20160130217-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-12 US disclosed
US-20130231385-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEMS (US) 2013-09-05 US disclosed
US-20130231385-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEMS (US) 2013-09-05 US disclosed
WO-2011150360-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-12-01 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-20160130217-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE AR, OGFR, BRDT MYC 23/4885MAX 4203/4885EP300 509/4885
US-20130231385-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE AR, OGFR, BRDT MYC 23/4885MAX 4203/4885EP300 509/4885

“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.