SCHEMBL6788515

SCHEMBL6788515

N#Cc1ccc(C(=O)Nc2cccc(N)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.63
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
CYP11B1 P15538 1/20 0.58
CYP11B2 P19099 1/20 0.58
F2 P00734 1/20 0.55
PLG P00747 1/20 0.55
PLAU P00749 1/20 0.55
KLKB1 P03952 1/20 0.55
PRSS1 P07477 1/20 0.55
DDX3X O00571 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
BACE1 P56817 1/20 0.54
ESR1 P03372 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
MLYCD O95822 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51

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
SCHEMBL14187585 0.93 PTGS1 (0.62) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL29568808 0.87 PTGS1 (0.79) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL8399784 0.87 PTGS1 (0.79) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL15886741 0.87 PTGS1 (0.59) PTGS1MEN1KMT2AF2PLG
SCHEMBL29672230 0.84 PTGS1 (0.74) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL927121 0.84 PTGS1 (0.74) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL2832357 0.83 KMT2A (0.59) MEN1KMT2ANPC1RAB9ACYP11B1
SCHEMBL13210705 0.83 NAMPT (0.66) MEN1KMT2ANPC1RAB9ACYP11B1
SCHEMBL259705 0.82 MEN1 (0.65) MEN1KMT2ANPC1RAB9ACYP11B1
SCHEMBL3610083 0.82 HPSE (0.67) MEN1KMT2ANPC1RAB9ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1117653-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2001-07-25 EP disclosed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 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 PTGS1 228/4885MEN1 2006/4885KMT2A 1869/4885

“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.