SCHEMBL4611261

SCHEMBL4611261

CCCCCN(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
JAK2 O60674 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.42
TACR1 P25103 1/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
TLR9 Q9NR96 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 1/20 0.41
KCNH2 Q12809 2/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39

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
SCHEMBL11124464 0.95 MAPT (0.47) NPC1JAK2RAB9APAX8MEN1
SCHEMBL5880844 0.87 ALDH1A1 (0.46) RAB9AMEN1KMT2ALMNAHTT
SCHEMBL28153546 0.82 ADRA2C (0.42) MEN1KMT2ALMNAHTTCRHBP
SCHEMBL2522995 0.80 KCNA3 (0.39) MEN1KMT2ALMNACRHBPCRHR2
SCHEMBL162872 0.79 ALDH1A1 (0.48) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL3478215 0.79 NPC1 (0.42) NPC1JAK2RAB9APAX8MEN1
SCHEMBL11229651 0.77 L3MBTL1 (0.44) NPC1RAB9AALDH1A1ATML3MBTL1
SCHEMBL3107378 0.76 KCNH2 (0.56) KCNH2
SCHEMBL9057912 0.76 TP53 (0.39) NPC1JAK2RAB9APAX8MEN1
SCHEMBL147785 0.76 ALDH1A1 (0.43) MEN1KMT2ALMNAMAPTCRHBP

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080099112-A1 Reduced sensitivity melt-pourable Tritonal replacements ALLIANT TECHSYSTEMS INC. 2008-05-01 US claimed
US-7067024-B2 Reduced sensitivity, melt-pourable TNT replacements ALLIANT TECHSYSTEMS INC. (US) 2006-06-27 US claimed
US-6964714-B2 Reduced sensitivity, melt-pourable tritonal replacements ALLIANT TECHSYSTEMS INC. (US) 2005-11-15 US claimed
EP-1399399-A1 REDUCED SENSITIVITY, MELT-POURABLE TRITONAL REPLACEMENTS ALLIANT TECHSYSTEMS INC. (US) 2004-03-24 EP claimed
EP-1399400-A1 REDUCED SENSITIVITY, MELT-POURABLE TNT REPLACEMENTS ALLIANT TECHSYSTEMS INC. (US) 2004-03-24 EP claimed
US-20030140993-A1 Reduced sensitivity, melt-pourable tritonal replacements NORTHROP GRUMMAN SYSTEMS CORPORATION 2003-07-31 US claimed
WO-2003002486-A1 REDUCED SENSITIVITY, MELT-POURABLE TNT REPLACEMENTS ALLIANT TECHSYSTEMS INC. (US) 2003-01-09 WO claimed
WO-2003002485-A1 REDUCED SENSITIVITY, MELT-POURABLE TRITONAL REPLACEMENTS ALLIANT TECHSYSTEMS INC. (US) 2003-01-09 WO claimed
US-20030005988-A1 Reduced sensitivity, melt-pourable TNT replacements NORTHROP GRUMMAN SYSTEMS CORPORATION 2003-01-09 US claimed
US-11879019-B2 Dual-enzyme responsive peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-23 US disclosed
US-20200199177-A1 Dual-Enzyme Responsive Peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-06-25 US disclosed
EP-3555280-A1 DUAL-ENZYME RESPONSIVE PEPTIDES The Regents of The University of California (US) 2019-10-23 EP disclosed
WO-2018118902-A1 DUAL-ENZYME RESPONSIVE PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-06-28 WO disclosed
EP-1982749-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter and Gamble Company (US) 2008-10-22 EP disclosed
WO-2001046091-A1 REDUCED SENSITIVITY MELT-CAST EXPLOSIVES DOLL, DANIEL, W. 2001-06-28 WO disclosed
WO-2001014343-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-03-01 WO disclosed
EP-0963371-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-15 EP disclosed
WO-1998037072-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-08-27 WO disclosed
EP-0292911-A2 Process for the preparation of pure nitro-aminobenzene-compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-30 EP disclosed
US-4600797-A NITRATING AN AMINOBENZENE WHICH HAS A PROTECTEDD AMINO GROUP BAYER AKTIENGESELLSCHAFT (DE) 1986-07-15 US 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-11879019-B2 Dual-enzyme responsive peptides DNPEP, PEPD, APEH NPC1 4867/4885JAK2 3820/4885RAB9A 2836/4885
US-20200199177-A1 Dual-Enzyme Responsive Peptides DNPEP, PEPD, APEH NPC1 4867/4885JAK2 3820/4885RAB9A 2836/4885

“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.