SCHEMBL2479231

SCHEMBL2479231

Nc1cccc2c1C(=O)N(c1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX5 P09917 2/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
DRD3 P35462 5/20 0.47
DRD1 P21728 2/20 0.47
DRD2 P14416 3/20 0.46
KCNH2 Q12809 1/20 0.46
DRD5 P21918 1/20 0.43
HTR7 P34969 2/20 0.42

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
SCHEMBL2478637 0.87 MAPT (0.62) ALDH1A1MAPTKDM4ENPC1TP53
SCHEMBL2479902 0.82 MAPT (0.47) ALDH1A1MAPTKDM4ENPC1TP53
SCHEMBL15125038 0.81 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ENPC1TP53
SCHEMBL28057380 0.79 MAPT (0.50) ALDH1A1MAPTKDM4ENPC1TP53
SCHEMBL4718485 0.76 DGAT1 (0.46) MAPTKDM4ETP53DRD3DRD1
SCHEMBL432973 0.76 ALOX5 (0.55) ALDH1A1MAPTKDM4EALOX5PTGS1
SCHEMBL27848580 0.74 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ETSHRNFKB1
SCHEMBL15766789 0.71 DDB1 (0.64) ALDH1A1MAPTKDM4EALOX5PTGS1
SCHEMBL28109727 0.71 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EALOX5PTGS1
SCHEMBL12058877 0.71 MAPT (0.58) ALDH1A1MAPTKDM4ENPC1TP53

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-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2013-07-25 US disclosed
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2013-07-25 US disclosed
US-20130190309-A1 PHTHALAZINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2013-07-25 US 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
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 ALDH1A1 2140/4885MAPT 422/4885KDM4E 1718/4885

“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.