SCHEMBL3060652

SCHEMBL3060652

O=C(Cl)c1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.40
ALDH1A1 P00352 5/20 0.37
KCNMA1 Q12791 2/20 0.34
TSHR P16473 2/20 0.33
VCAM1 P19320 1/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
APEX1 P27695 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
CYP2C19 P33261 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL182687 0.82 LMNA (0.41) GPR35TSHRLMNAKDM4EAPEX1
SCHEMBL3431418 0.81 KCNMA1 (0.43) GPR35ALDH1A1KCNMA1TSHRKMT2A
SCHEMBL546991 0.79 NPSR1 (0.43) ALDH1A1KCNMA1TSHRVCAM1KMT2A
SCHEMBL10240268 0.78 GPR35 (0.34) GPR35ALDH1A1KCNMA1TSHRKMT2A
SCHEMBL13375198 0.78 ALDH1A1 (0.40) GPR35ALDH1A1KMT2AHTTLMNA
SCHEMBL7514225 0.78 KMT2A (0.49) GPR35ALDH1A1KMT2AHTTLMNA
Hydrochloric Acid SCHEMBL3467163 0.78 NPSR1 (0.42) ALDH1A1KCNMA1TSHRVCAM1KMT2A
Propane SCHEMBL18131179 0.77 HCAR3 (0.38) ALDH1A1TSHRLMNAKDM4EMAPT
SCHEMBL13543760 0.77 SLC6A2 (0.40) ALDH1A1KCNMA1LMNAMAPTSMN1; SMN2
SCHEMBL7760011 0.76 PRSS1 (0.39) GPR35ALDH1A1KCNMA1KDM4E

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
CN-111902400-B Aromatic derivatives, process for their preparation and their medical use 保仕健生物科技(上海)有限公司 2024-08-30 CN disclosed
US-11976058-B2 Aromatic derivatives, preparation methods, and medical uses thereof BIOARDIS LLC (US) 2024-05-07 US disclosed
EP-3150592-B1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
CN-112047932-B Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2022-11-08 CN disclosed
CN-110997637-B Aromatic derivative, preparation method and application thereof in medicine 保仕健生物科技(上海)有限公司 2022-09-27 CN disclosed
US-20220169634-A1 AROMATIC DERIVATIVES, PREPARATION METHODS, AND MEDICAL USES THEREOF BIOARDIS LLC 2022-06-02 US disclosed
EP-3935048-A1 AROMATIC DERIVATIVES, PREPARATION METHODS, AND MEDICAL USES THEREOF Bioardis LLC (US) 2022-01-12 EP disclosed
CN-112047932-A Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2020-12-08 CN disclosed
CN-111902400-A Aromatic derivatives, process for their preparation and their medical use 保仕健生物科技(上海)有限公司 2020-11-06 CN disclosed
CN-110997637-A Aromatic derivative, preparation method and application thereof in medicine 博奥阿迪斯生物科技公司 2020-04-10 CN disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (7 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 GPR35 3607/4885ALDH1A1 1389/4885KCNMA1 722/4885
US-11976058-B2 Aromatic derivatives, preparation methods, and medical uses thereof FGFR4, FGFR3, FGFR1 GPR35 1402/4885ALDH1A1 876/4885KCNMA1 4615/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A GPR35 3990/4885ALDH1A1 862/4885KCNMA1 322/4885
US-20220169634-A1 AROMATIC DERIVATIVES, PREPARATION METHODS, AND MEDICAL USES THEREOF FGFR4, FGFR3, FGFR1 GPR35 1402/4885ALDH1A1 876/4885KCNMA1 4615/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GPR35 923/4885ALDH1A1 1930/4885KCNMA1 4583/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GPR35 923/4885ALDH1A1 1930/4885KCNMA1 4583/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GPR35 923/4885ALDH1A1 1930/4885KCNMA1 4583/4885

“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.