SCHEMBL12068649

SCHEMBL12068649

CCCCOc1cc(C(N)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)CC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.58
▸ AKR1C2 P52895 1/20 0.58
▸ AKR1C1 Q04828 1/20 0.58
▸ MYC P01106 5/20 0.55
▸ MAX P61244 4/20 0.55
▸ AR P10275 1/20 0.55
▸ PELP1 Q8IZL8 1/20 0.55
▸ EP300 Q09472 2/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ MAPT P10636 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ CRHBP P24387 1/20 0.42

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
SCHEMBL12068685 0.94 EP300 (0.57) AKR1C3AKR1C2AKR1C1MYCMAX
SCHEMBL12068662 0.93 EP300 (0.62) AKR1C3AKR1C2AKR1C1MYCMAX
SCHEMBL12068710 0.91 AKR1C3 (0.68) AKR1C3AKR1C2AKR1C1MYCMAX
SCHEMBL12068700 0.90 MYC (0.69) AKR1C3AKR1C2AKR1C1MYCMAX
SCHEMBL12068659 0.90 MYC (0.69) AKR1C3AKR1C2AKR1C1MYCMAX
SCHEMBL12068698 0.89 MYC (0.68) AKR1C3AKR1C2AKR1C1MYCMAX
SCHEMBL12070189 0.89 EP300 (0.65) AKR1C3AKR1C2AKR1C1MYCMAX
SCHEMBL12068654 0.89 EP300 (0.62) AKR1C3AKR1C2AKR1C1MYCMAX
SCHEMBL12068723 0.89 EP300 (0.62) AKR1C3AKR1C2AKR1C1MYCMAX
SCHEMBL12070180 0.88 MYC (0.72) AKR1C3AKR1C2AKR1C1MYCMAX

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 AKR1C3 932/4885AKR1C2 827/4885AKR1C1 1045/4885
US-20130231385-A1 OLIGO-BENZAMIDE COMPOUNDS AND THEIR USE AR, OGFR, BRDT AKR1C3 932/4885AKR1C2 827/4885AKR1C1 1045/4885

“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.

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