SCHEMBL5165809

SCHEMBL5165809

CS(=O)(=O)Nn1c(=O)[nH]c2cc([N+](=O)[O-])c(NCCOCc3ccccc3)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
CYP19A1 P11511 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 2/20 0.35
MAPT P10636 4/20 0.35
WNK1 Q9H4A3 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL5182198 0.88 MAPT (0.47) KMT2ASMN1; SMN2PKMLMNAMAPT
SCHEMBL5170388 0.87 MAPT (0.46) KMT2APKMLMNAMAPTALDH1A1
SCHEMBL5169462 0.86 WNK1 (0.49) KMT2ACYP19A1SMN1; SMN2PKMLMNA
SCHEMBL5466675 0.86 LMNA (0.51) KMT2ASMN1; SMN2PKMLMNAMAPT
SCHEMBL5182233 0.82 MAPT (0.41) SMN1; SMN2PKMMAPT
SCHEMBL5167618 0.82 MAPT (0.54) KMT2ASMN1; SMN2PKMLMNAMAPT
SCHEMBL5463653 0.80 MAPT (0.47) KMT2ASMN1; SMN2PKMLMNAMAPT
SCHEMBL5477210 0.78 MAPT (0.45) KMT2ACYP19A1SMN1; SMN2PKMLMNA
SCHEMBL5165184 0.78 CA12 (0.43) KMT2ASMN1; SMN2PKMLMNAMAPT
SCHEMBL5168055 0.78 BDKRB1 (0.43) KMT2AMAPTALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 KMT2A 2522/4885CYP19A1 505/4885SMN1; SMN2 3684/4885

“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.