SCHEMBL2475236

SCHEMBL2475236

O=C1c2c(cccc2[N+](=O)[O-])CN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2479902 0.88 MAPT (0.47) MAPTNPC1TP53TSHRNFKB1
SCHEMBL2477914 0.84 DRD2 (0.46) MAPTNPC1TP53TSHRNFKB1
SCHEMBL1468459 0.82 NPC1 (0.51) MAPTNPC1RAB9AHTTLMNA
SCHEMBL2478637 0.81 MAPT (0.62) MAPTNPC1TP53TSHRNFKB1
SCHEMBL17199191 0.79 MAPT (0.51) MAPTNPC1TP53TSHRNFKB1
SCHEMBL12058877 0.78 MAPT (0.58) MAPTNPC1TP53TSHRNFKB1
SCHEMBL4414540 0.78 RECQL (0.41) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30910319 0.76 NPC1 (0.62) MAPTNPC1TP53TSHRNFKB1
SCHEMBL28221314 0.76 NPC1 (0.62) MAPTNPC1TP53TSHRNFKB1
SCHEMBL15173205 0.73 MAPT (0.46) MAPTNPC1SMN1; SMN2HTTLMNA

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
CN-102307871-A Isoindolinone and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2012-01-04 CN disclosed
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTIS PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTIS PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTIS PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
EP-2373645-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
WO-2010077686-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077686-A1 ISOINDOLINONE 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-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 772/4885NPC1 3208/4885TP53 537/4885

“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.