SCHEMBL6615901

SCHEMBL6615901

O=C(O)C(Cc1ccccc1)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
KDM4A O75164 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CPA1 P15085 6/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP7 P55210 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARG P37231 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46

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
SCHEMBL6615905 1.00 RAB9A (0.53) RAB9AGAAMEN1KMT2ANPC1
SCHEMBL14919145 0.92 MAPT (0.51) RAB9AGAAMEN1KMT2ANPC1
SCHEMBL14919146 0.92 MAPT (0.51) RAB9AGAAMEN1KMT2ANPC1
SCHEMBL21410824 0.91 ALDH1A1 (0.53) RAB9AGAAMEN1KMT2ANPC1
SCHEMBL21410822 0.91 ALDH1A1 (0.53) RAB9AGAAMEN1KMT2ANPC1
SCHEMBL5276860 0.87 ALDH1A1 (0.50) RAB9AGAAMEN1KMT2ANPC1
SCHEMBL5276866 0.87 ALDH1A1 (0.50) RAB9AGAAMEN1KMT2ANPC1
SCHEMBL13555269 0.86 KDM4A (0.49) RAB9AGAAKMT2AKDM4ACPA1
SCHEMBL1333933 0.85 CRHBP (0.56) RAB9AGAAMEN1KMT2AALDH1A1
SCHEMBL1333936 0.85 CRHBP (0.56) RAB9AGAAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174685-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-30 US disclosed
US-11905297-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-02-20 US disclosed
US-20230122024-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-20 US disclosed
US-20210163494-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-03 US disclosed
US-20210107914-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-15 US disclosed
EP-3773566-A1 OX2R COMPOUNDS Board of Regents, The University of Texas System (US) 2021-02-17 EP disclosed
WO-2019191327-A1 OX2R COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-03 WO disclosed
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 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 (5 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-11905297-B2 OX2R compounds HCRTR2, HCRTR1, OXTR RAB9A 1793/4885GAA 2090/4885MEN1 4617/4885
US-20240174685-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR RAB9A 1793/4885GAA 2090/4885MEN1 4617/4885
US-20210107914-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR RAB9A 1793/4885GAA 2090/4885MEN1 4617/4885
US-20230122024-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR RAB9A 1793/4885GAA 2090/4885MEN1 4617/4885
US-20210163494-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR RAB9A 1793/4885GAA 2090/4885MEN1 4617/4885

“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.