SCHEMBL2475360

SCHEMBL2475360

Cc1nccc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 3/20 0.44
POLB P06746 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CASP6 P55212 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
PAX8 Q06710 1/20 0.38
ALKBH2 Q6NS38 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
ALKBH3 Q96Q83 1/20 0.38
FTO Q9C0B1 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.37
HCAR3 P49019 2/20 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
SCHEMBL28560223 0.85 TDP1 (0.42) L3MBTL1TDP1TSHRPOLBKDM4E
SCHEMBL4017164 0.81 TDP1 (0.49) L3MBTL1TDP1POLBCA1CA2
SCHEMBL29178118 0.81 KDM4E (0.49) L3MBTL1TDP1TSHRPOLBCA1
SCHEMBL5481728 0.80 MAPT (0.48) POLBCA1CA2KDM4EALDH1A1
SCHEMBL28055894 0.79 TDP1 (0.47) L3MBTL1TDP1TSHRPOLBCA1
SCHEMBL28577900 0.79 KDM4E (0.48) L3MBTL1TDP1TSHRPOLBCA1
SCHEMBL927382 0.79 TDP1 (0.47) L3MBTL1TDP1TSHRPOLBCA1
SCHEMBL12496332 0.79 TDP1 (0.47) L3MBTL1TDP1POLBCA1CA2
SCHEMBL1121873 0.77 GPR35 (0.50) L3MBTL1TDP1POLBCASP6KDM4E
SCHEMBL1245681 0.76 TSHR (0.51) L3MBTL1TDP1TSHRPOLBCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2013-07-25 US disclosed
CN-102317284-A Triazolopyridines as phosphodiesterase inhibitors for treatment of dermal diseases SIRTRIS PHARMACEUTICALS INC 2012-01-11 CN disclosed
CN-102307871-A Isoindolinone and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2012-01-04 CN disclosed
EP-2373646-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
WO-2010077947-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-07-08 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-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 L3MBTL1 3339/4885TDP1 1672/4885TSHR 2800/4885

“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.