SCHEMBL6677192

SCHEMBL6677192

O=C1c2ccccc2C(=O)N1c1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
SCN2A Q99250 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
CASP6 P55212 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.39
MASP2 O00187 1/20 0.39
F2 P00734 1/20 0.39
CA12 O43570 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL7731446 0.89 LMNA (0.47) CYP3A4NFKB1PMP22LMNAESR1
SCHEMBL11000006 0.83 ESR1 (0.47) CYP3A4NFKB1PMP22LMNAESR1
SCHEMBL7729247 0.77 ESR1 (0.47) LMNAESR1ESR2MEN1KMT2A
SCHEMBL3843730 0.77 CYP3A4 (0.57) CYP3A4NFKB1PMP22ESR1ESR2
SCHEMBL6683298 0.77 CYP3A4 (0.60) CYP3A4NFKB1PMP22ESR1ESR2
SCHEMBL11864526 0.75 CYP3A4 (0.59) CYP3A4NFKB1PMP22LMNASCN2A
SCHEMBL11863055 0.75 ESR1 (0.57) CYP3A4NFKB1PMP22LMNAESR1
SCHEMBL11305617 0.75 ESR1 (0.57) CYP3A4NFKB1PMP22LMNAESR1
SCHEMBL2891199 0.75 ATM (0.49) CYP3A4LMNAESR1ESR2SCN2A
SCHEMBL4198055 0.75 LMNA (0.56) LMNAESR1ESR2SCN2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077930-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-10 EP disclosed
US-6716847-B2 ANTIALLERGENS, ANTIINFLAMMATORY ASTRAZENECA AB (SE) 2004-04-06 US disclosed
US-20030216417-A1 Substituted anilino-quinoline compounds and use thereof ASTRAZENECA AB 2003-11-20 US disclosed
US-6593333-B1 Processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines. Tumour Necrosis Factor (hereinafter TNF), for example TNF alpha , and various ASTRAZENECA AB (SE) 2003-07-15 US disclosed
EP-1117653-B1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-02-05 EP disclosed
US-6465455-B1 TUMOUR NECROSIS FACTOR AND INTERLEUKIN FAMILY INHIBITORS; INHIBITION OF ENZYME P38 KINASE; INFLAMMATION, IMMUNO-REGULATION, ALLERGIES ASTRAZENECA AB (SE) 2002-10-15 US disclosed
EP-1117653-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2001-07-25 EP disclosed
EP-1077930-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed
WO-1999059960-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 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-20030216417-A1 Substituted anilino-quinoline compounds and use thereof IL6, IL6ST, IL1A CYP3A4 72/4885NFKB1 1057/4885PMP22 3447/4885

“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.