SCHEMBL7575461

SCHEMBL7575461

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.77
GPR35 Q9HC97 2/20 0.49
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
MERTK Q12866 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.41
MTOR P42345 1/20 0.41
PLK1 P53350 1/20 0.41
HPGD P15428 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40

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) VCAM1GPR35GRIN2DGRIN3BGRIN1
SCHEMBL4167481 0.82 VCAM1 (0.59) VCAM1GPR35GRIN2DGRIN3BGRIN1
SCHEMBL9899802 0.79 VCAM1 (0.77) VCAM1GPR35GRIN2DGRIN3BGRIN1
SCHEMBL15413658 0.79 VCAM1 (0.77) VCAM1GPR35GRIN2DGRIN3BGRIN1
SCHEMBL15408517 0.79 VCAM1 (0.77) VCAM1GPR35GRIN2DGRIN3BGRIN1
SCHEMBL2085253 0.76 VCAM1 (0.66) VCAM1GPR35GRIN2DGRIN3BGRIN1
SCHEMBL2810707 0.76 GPR35 (0.57) VCAM1GPR35ALDH1A1CYP3A4HPGD
SCHEMBL25258938 0.76 VCAM1 (0.70) VCAM1GPR35GRIN2DGRIN3BGRIN1
SCHEMBL31326843 0.75 VCAM1 (0.64) VCAM1GPR35ALDH1A1HPGDALOX15
SCHEMBL31432469 0.75 VCAM1 (0.59) VCAM1GPR35MERTKALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479858-B2 Macrocyclic compounds as sting agonists and methods and uses thereof LUPIN LIMITED (IN) 2025-11-25 US disclosed
EP-4004002-B1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LTD (IN) 2024-07-10 EP disclosed
EP-4004002-B1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LTD (IN) 2024-07-10 EP disclosed
CN-114174303-B Macrocyclic compounds as STING agonists and methods and uses thereof 印度鲁宾有限公司 2024-06-25 CN disclosed
US-20220289763-A1 Macrocyclic Compounds as Sting Agonists and Methods and Uses Thereof LUPIN LIMITED (IN) 2022-09-15 US disclosed
EP-4004002-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF Lupin Limited (IN) 2022-06-01 EP disclosed
CN-114174303-A Macrocyclic compounds as STING agonists, methods and uses thereof 印度鲁宾有限公司 2022-03-11 CN disclosed
WO-2021014365-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LIMITED (IN) 2021-01-28 WO disclosed
WO-2021014365-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LIMITED (IN) 2021-01-28 WO disclosed
CN-104470925-B Imidazo-triazine formonitrile HCN as kinase inhibitor 百时美施贵宝公司 2017-12-05 CN disclosed
US-8940736-B2 Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
WO-2014011974-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-16 WO disclosed
US-20140018319-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-01-16 US disclosed
CN-1136192-C Aryl and heteroaryl sulfonamide derivatives, their preparation and their use as endothelin antagonists - 2004-01-28 CN disclosed
EP-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6133442-A FOR THE TREATMENT OF DISORDERS WHICH ARE ASSOCIATED WITH ENDOTHELIN ACTIVITIES, ESPECIALLY CIRCULATORY DISORDERS SUCH AS HYPERTENSION, ISCHAEMIA, VASOSPASMS AND ANGINA PECTORIS HOFFMANN-LA ROCHE INC. (US) 2000-10-17 US disclosed
US-5962682-A Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN-LA ROCHE INC. (US) 1999-10-05 US disclosed
CN-1170405-A Aryl and heteroaryl sulfonamide derivatives, their preparation and their use as endothelin antagonists HOFFMANN LA ROCHE (CH) 1998-01-14 CN disclosed
EP-0799206-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019455-A1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 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 (3 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-12479858-B2 Macrocyclic compounds as sting agonists and methods and uses thereof STING1, CGAS, MAVS VCAM1 3553/4885GPR35 60/4885GRIN2D 4214/4885
US-20140018319-A1 IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS ABL1, MAP4K2, MAP3K1 VCAM1 4191/4885GPR35 3725/4885GRIN2D 3686/4885
US-20220289763-A1 Macrocyclic Compounds as Sting Agonists and Methods and Uses Thereof STING1, CGAS, MAVS VCAM1 3553/4885GPR35 60/4885GRIN2D 4214/4885

“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.