SCHEMBL6086071

SCHEMBL6086071

NC(=O)c1cncc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ TSHR P16473 2/20 0.56
▸ GAA P10253 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ SIRT2 Q8IXJ6 3/20 0.47
▸ SIRT1 Q96EB6 3/20 0.47
▸ SIRT3 Q9NTG7 3/20 0.47
▸ MAPT P10636 5/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ PRSS1 P07477 1/20 0.41

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
SCHEMBL1607866 0.83 TP53 (0.55) SMN1; SMN2CYP3A4GAALMNAMAPT
SCHEMBL940807 0.83 TP53 (0.55) SMN1; SMN2CYP3A4GAALMNAMAPT
Hydrochloric Acid SCHEMBL11722776 0.81 TP53 (0.53) SMN1; SMN2CYP3A4GAALMNAMAPT
Hydrochloric Acid SCHEMBL11722772 0.81 TP53 (0.53) SMN1; SMN2CYP3A4GAALMNAMAPT
SCHEMBL287220 0.81 ALDH1A1 (0.56) SMN1; SMN2CYP3A4GAALMNAMAPT
SCHEMBL11722198 0.81 ALDH1A1 (0.56) SMN1; SMN2CYP3A4TSHRGAAMAPT
SCHEMBL11719928 0.80 KMT2A (0.51) SMN1; SMN2CYP3A4GAAMAPTKMT2A
SCHEMBL11725136 0.79 MAPT (0.54) SMN1; SMN2CYP3A4GAAMAPTKMT2A
SCHEMBL15129079 0.78 CA1 (0.49) SMN1; SMN2CYP3A4GAAMAPTKMT2A
Nitromide SCHEMBL193674 0.78 CYP3A4 (1.00) SMN1; SMN2CYP3A4TSHRGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 — — US claimed
WO-2022247743-A1 COMPOUNDS AND THEIR USE AS VACCINE ADJUVANTS FULGENT GENETICS, INC. (US) 2022-12-01 — — WO disclosed
WO-2022246597-A1 IMIDAZOPYRIDINE DERIVATIVES AS STING AGONISTS FOREVER MILLETS LIMITED (CN) 2022-12-01 — — WO disclosed
CN-114585623-A Bis [ N- ((5-carbamoyl) -1H-benzo [ d ] imidazol-2-yl) pyrazole-5-carboxamide ] derivatives and related compounds as STING (interferon gene stimulator) agonists for the treatment of cancer 梅尔莎纳医疗公司 2022-06-03 — — CN disclosed
CN-104245698-A Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL 2014-12-24 — — CN disclosed
CN-101652353-A 3-hydrogen quinazoline-4-one derivatives as stearoyl coa desaturase inhibitors CV THERAPEUTICS INC US 2010-02-17 — — CN disclosed
US-7067552-B2 Radiosensitizing taxanes and their pharmaceutical preparations FLORIDA STATE UNIVERSITY (US) 2006-06-27 — — US disclosed
US-20020040155-A1 Radiosensitizing taxanes and their pharmaceutical preparations FLORIDA STATE UNIVERSITY 2002-04-04 — — US disclosed
EP-0956016-A4 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS UNIV FLORIDA STATE (US) 2001-11-14 — — EP disclosed
US-6255495-B1 KILLING HYPOXIC TUMOR CELLS AND TREATING DERMATOLOGICAL DISEASES IN WARM-BLOODED ANIMALS VIA ADMINISTERING RADIOSENSITIZING AMOUNT OF ELECTRON-AFFINIC-DIAMINE FLORIDA STATE UNIVERSITY 2001-07-03 — — US disclosed
US-6057453-A OXIDATION, FORMING RADIOSENSITIZING DIAMINES, REDUCTION FLORIDA STATE UNIVERSITY (US) 2000-05-02 — — US disclosed
EP-0956016-A1 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS Florida State University (US) 1999-11-17 — — EP disclosed
CN-1232395-A Pharmaceutical compounds containing polyamines substituted with electron affinity groups UNIV FLORIDA STATE (US) 1999-10-20 — — CN disclosed
CN-1211919-A Radiosensitizing taxanes and their pharmaceutical preparations UNIV FLORIDA STATE (US) 1999-03-24 — — CN disclosed
EP-0855909-A1 RADIOSENSITIZING TAXANES AND THEIR PHARMACEUTICAL PREPARATIONS FLORIDA STATE UNIVERSITY (US) 1998-08-05 — — EP disclosed
WO-1998014190-A9 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS — 1998-07-30 — — WO disclosed
WO-1998014190-A1 PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS FLORIDA STATE UNIVERSITY (US) 1998-04-09 — — WO disclosed
WO-1997009979-A9 RADIOSENSITIZING TAXANES AND THEIR PHARMACEUTICAL PREPARATIONS — 1997-06-05 — — WO disclosed
WO-1997009979-A1 RADIOSENSITIZING TAXANES AND THEIR PHARMACEUTICAL PREPARATIONS FLORIDA STATE UNIVERSITY (US) 1997-03-20 — — WO disclosed
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 — — 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 (1 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-20020040155-A1 Radiosensitizing taxanes and their pharmaceutical preparations TOP2A, XPA, TP53 SMN1; SMN2 1100/4885CYP3A4 2600/4885TSHR 3058/4885

“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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