SCHEMBL1338313

SCHEMBL1338313

CNc1c[n+]([O-])c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.43
HTT P42858 1/20 0.41
MAPT P10636 9/20 0.38
POLB P06746 4/20 0.38
LMNA P02545 2/20 0.38
GALR2 O43603 1/20 0.38
KMT2A Q03164 1/20 0.37
CDC25B P30305 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
EGFR P00533 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2237080 0.89 HCAR3 (0.36) HCAR3HTTMAPTPOLBLMNA
SCHEMBL30674815 0.83 HCAR3 (0.47) HCAR3MAPTPOLBLMNAALDH1A1
SCHEMBL21989619 0.83 HCAR3 (0.47) HCAR3MAPTPOLBLMNAALDH1A1
SCHEMBL19497649 0.82 HCAR3 (0.45) HCAR3HTTMAPTPOLBLMNA
SCHEMBL18322039 0.80 HCAR3 (0.43) HCAR3HTTMAPTPOLBLMNA
SCHEMBL16428099 0.80 HCAR3 (0.50) HCAR3HTTMAPTPOLBLMNA
SCHEMBL20847441 0.80 HCAR3 (0.40) HCAR3HTTMAPTPOLBLMNA
SCHEMBL2596740 0.77 CYP1A2 (0.46) HTTMAPTLMNAALDH1A1CYP1A2
SCHEMBL6508786 0.77 ALDH1A1 (0.40) HTTMAPTALDH1A1CYP1A2PKM
SCHEMBL27171126 0.75 WNK1 (0.45) HCAR3HTTMAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220104496-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-04-07 US disclosed
US-11229208-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2022-01-25 US disclosed
US-10939682-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-03-09 US disclosed
EP-3778599-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
EP-3778598-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
US-20210037827-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-11 US disclosed
EP-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP disclosed
US-10385048-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATION AG (CH) 2019-08-20 US disclosed
EP-3240786-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-03-27 EP disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 US disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 WO disclosed
WO-2015000715-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2015-01-08 WO disclosed
WO-2015000715-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2015-01-08 WO disclosed
US-8598190-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US disclosed
US-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2361252-A1 3H-IMIDAZO [4, 5-C]PYRIDINE-6-CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-08-31 EP disclosed
CN-102164922-A 3H-imidazo [4,5-C ] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INT 2011-08-24 CN disclosed
WO-2010034798-A1 3H-IMIDAZO [4, 5-C] PYRIDINE-6-CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (8 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-20220104496-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS GSTA1, CYP1B1, DDT HCAR3 4728/4885HTT 3792/4885MAPT 1169/4885
US-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents MAP4, IL4, MAP7D3 HCAR3 408/4885HTT 4054/4885MAPT 466/4885
US-20210037827-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS GSTA1, CYP1B1, DDT HCAR3 4728/4885HTT 3792/4885MAPT 1169/4885
US-10939682-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents DDT, TST, SCLY HCAR3 3244/4885HTT 264/4885MAPT 457/4885
US-11229208-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents GSTA1, CYP1B1, DDT HCAR3 4728/4885HTT 3792/4885MAPT 1169/4885
US-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN HCAR3 1654/4885HTT 4202/4885MAPT 4092/4885
US-10385048-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, SQOR, ACHE HCAR3 4810/4885HTT 2018/4885MAPT 398/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN HCAR3 1708/4885HTT 4237/4885MAPT 4131/4885

“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.