SCHEMBL1964637

SCHEMBL1964637

Cc1cc(N)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
TSHR P16473 6/20 0.51
TDP1 Q9NUW8 5/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 3/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CASP6 P55212 1/20 0.43
RECQL P46063 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
DTYMK P23919 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 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
SCHEMBL2900752 0.86 TSHR (0.51) LMNATSHRTDP1ALDH1A1CYP3A4
SCHEMBL31558212 0.86 TSHR (0.51) LMNATSHRTDP1ALDH1A1CYP3A4
SCHEMBL772656 0.85 TSHR (0.58) LMNATSHRTDP1ALDH1A1CYP3A4
SCHEMBL20502408 0.85 LMNA (0.58) LMNATSHRTDP1ALDH1A1CYP3A4
SCHEMBL29502565 0.85 TSHR (0.58) LMNATSHRTDP1ALDH1A1CYP3A4
SCHEMBL1967897 0.85 LMNA (0.46) LMNATSHRTDP1ALDH1A1CYP3A4
SCHEMBL4180430 0.84 TSHR (0.61) LMNATSHRTDP1ALDH1A1CYP3A4
SCHEMBL26841751 0.84 TSHR (0.56) LMNATSHRTDP1ALDH1A1L3MBTL1
SCHEMBL9377747 0.84 TDP1 (0.56) LMNATSHRTDP1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL11774750 0.82 TSHR (0.59) LMNATSHRTDP1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116730995-B Hydrazide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-06-25 CN disclosed
WO-2024032715-A1 HYDRAZIDE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳微芯生物科技股份有限公司 2024-02-15 WO disclosed
CN-116730995-A Hydrazide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-09-12 CN disclosed
US-11691970-B2 Pyrazolopyridinone compounds JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-11691970-B2 Pyrazolopyridinone compounds JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-11691970-B2 Pyrazolopyridinone compounds JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
CN-111655690-B Pyrazolopyridinone compounds 詹森药业有限公司 2023-01-10 CN disclosed
EP-3713941-B1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-06-22 EP disclosed
EP-3713941-B1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-06-22 EP disclosed
CN-108026052-B 5-hydroxyalkyl benzimidazoles as mIDH1 inhibitors 德国癌症研究公共权益基金会 2021-10-08 CN disclosed
CN-105980365-A Benzimidazol-2-amines as mIDH1 inhibitors 拜耳医药股份公司 2016-09-28 CN disclosed
WO-2015121209-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
WO-2015121210-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
CN-102224143-A 1h-benzimidazole-5-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INT 2011-10-19 CN disclosed
WO-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 WO disclosed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
JP-2000219656-A ISOLATION AND PURIFICATION OF 3-NITRO-ORTHO-TOLUIC ACID SAN CHEM KK 2000-08-08 JP 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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 LMNA 2823/4885TSHR 3325/4885TDP1 2907/4885
US-11691970-B2 Pyrazolopyridinone compounds FGFR1, FGFR3, FGFR2 LMNA 4095/4885TSHR 1291/4885TDP1 1242/4885

“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.