SCHEMBL3172185

SCHEMBL3172185

CC(=O)Nc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
HPGD P15428 5/20 0.72
KDM4E B2RXH2 4/20 0.72
TP53 P04637 3/20 0.72
HSD17B10 Q99714 3/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
TDP1 Q9NUW8 1/20 0.72
NR4A2 P43354 1/20 0.67
GAA P10253 1/20 0.66
CHEK2 O96017 8/20 0.65
POLB P06746 1/20 0.62
BAZ1A Q9NRL2 1/20 0.61
HPSE Q9Y251 1/20 0.60
MMP2 P08253 2/20 0.60
MMP9 P14780 2/20 0.60
MMP8 P22894 2/20 0.60
MMP13 P45452 2/20 0.60
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL18229493 0.88 HDAC6 (0.72) ALDH1A1HPGDKDM4ETP53HSD17B10
SCHEMBL20982644 0.87 NR4A2 (0.86) ALDH1A1HPGDKDM4EKMT2ATDP1
SCHEMBL12296724 0.86 ALDH1A1 (0.72) ALDH1A1HPGDKDM4ETP53HSD17B10
SCHEMBL30667663 0.86 ALDH1A1 (0.72) ALDH1A1HPGDKDM4ETP53HSD17B10
SCHEMBL5219768 0.85 NR4A2 (0.83) ALDH1A1HPGDKDM4EKMT2ANR4A2
SCHEMBL1664867 0.85 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ETP53HSD17B10
SCHEMBL27202537 0.84 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ETP53HSD17B10
SCHEMBL26551812 0.83 ALDH1A1 (0.83) ALDH1A1HPGDKDM4ETP53HSD17B10
SCHEMBL3178974 0.83 DGAT1 (0.58) ALDH1A1HPGDKDM4ETP53HSD17B10
SCHEMBL11564587 0.83 CHEK2 (0.78) TDP1NR4A2CHEK2HPSEMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 US disclosed
CN-101600437-A method for preventing or treating myocardial ischemia NOVARTIS AG (CH) 2009-12-09 CN disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 EP disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO disclosed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP disclosed
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 WO disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 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-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA ALDH1A1 532/4885HPGD 1136/4885KDM4E 4043/4885

“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.