SCHEMBL9899802

SCHEMBL9899802

N#Cc1cc(F)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.77
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
MERTK Q12866 2/20 0.41
GPR35 Q9HC97 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
SCHEMBL645653 0.87 VCAM1 (1.00) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31750678 0.82 VCAM1 (0.59) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2085369 0.80 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15413658 0.79 VCAM1 (0.77) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5704379 0.79 VCAM1 (0.56) VCAM1HPGDTDP1ALDH1A1HIF1A
SCHEMBL25186726 0.79 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4615740 0.79 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15408517 0.79 VCAM1 (0.77) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9899661 0.79 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7575461 0.79 VCAM1 (0.77) VCAM1GRIN2DGRIN3BGRIN1GRIN2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111386275-B High activity STING protein agonists 杭州阿诺生物医药科技有限公司 2023-03-10 CN disclosed
CN-112661772-B Interferon gene stimulating protein compound and preparation method thereof 杭州阿诺生物医药科技有限公司 2022-06-10 CN disclosed
CN-112679520-B STING agonists and methods of making the same 杭州阿诺生物医药科技有限公司 2022-03-11 CN disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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 (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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES VCAM1 1534/4885GRIN2D 3308/4885GRIN3B 3374/4885

“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.