SCHEMBL5167802

SCHEMBL5167802

COC(=O)c1cc(N2CCSCC2)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.45
SERPINE1 P05121 9/20 0.42
MAPT P10636 3/20 0.41
CYP3A4 P08684 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.39
WDR5 P61964 1/20 0.39
LMNA P02545 1/20 0.37

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
SCHEMBL5168841 0.90 SIRT6 (0.47) SIRT6SERPINE1MAPTCYP3A4BLM
SCHEMBL5166296 0.87 MAPT (0.48) SIRT6SERPINE1MAPTALDH1A1TDP1
SCHEMBL5166082 0.81 CFTR (0.55) MAPTALDH1A1
SCHEMBL6439266 0.79 SERPINE1 (0.42) SIRT6SERPINE1MAPTCYP3A4TDP1
SCHEMBL5170363 0.77 RBP4 (0.35) MAPTALDH1A1THRB
SCHEMBL2597417 0.76 CFTR (0.43) SIRT6MAPTCYP3A4PMP22ALDH1A1
SCHEMBL2597282 0.74 ALDH1A1 (0.56) SIRT6MAPTCYP3A4PMP22ALDH1A1
SCHEMBL5165313 0.74 TLR2 (0.39) SIRT6MAPTALDH1A1
SCHEMBL5167327 0.74 SMN1; SMN2 (0.37) SIRT6MAPTALDH1A1
SCHEMBL5166126 0.74 SMN1; SMN2 (0.39) SIRT6MAPTCYP3A4PMP22ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773788-B1 Quinazoline derivatives NOVARTIS AG (CH) 2012-11-14 EP disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
EP-1773788-A2 QUINAZOLINE DERIVATIVES NOVARTIS-PHARMA GMBH (AT) 2007-04-18 EP disclosed
WO-2006010591-A2 QUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2006-02-02 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-20070208018-A1 Quinazoline Derivatives CYP3A5, CYP3A7, CYP3A4 SIRT6 749/4885SERPINE1 2548/4885MAPT 2053/4885

“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.