SCHEMBL16062202

SCHEMBL16062202

CC1(C)OB(c2ccc3[nH]c(-c4ccccc4)nc3c2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.51
LIPG Q9Y5X9 2/20 0.51
NPC1 O15118 9/20 0.49
RAB9A P51151 9/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 10/20 0.43
ALDH1A1 P00352 9/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
HPGD P15428 6/20 0.43
TP53 P04637 4/20 0.43
HSD17B10 Q99714 4/20 0.43
TSHR P16473 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
MAPT P10636 6/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
RCE1 Q9Y256 1/20 0.43

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
SCHEMBL3765301 0.90 NPC1 (0.52) LPLLIPGNPC1RAB9AGAA
SCHEMBL481643 0.84 NPC1 (0.55) LPLLIPGNPC1RAB9AGAA
SCHEMBL29653942 0.83 KDM4E (0.53) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL10326353 0.79 NPBWR1 (0.51) LPLLIPGNPBWR1
SCHEMBL19965243 0.79 LPL (0.40) LPLLIPGNPC1RAB9AKDM4E
SCHEMBL14327029 0.79 GAA (0.52) LPLLIPGNPC1RAB9AGAA
SCHEMBL30016416 0.78 FABP6 (0.42) LPLLIPGALDH1A1MEN1KMT2A
SCHEMBL28483833 0.78 LPL (0.39) LPLLIPG
SCHEMBL3132769 0.78 FABP6 (0.42) LPLLIPGALDH1A1MEN1KMT2A
SCHEMBL16655694 0.78 LPL (0.39) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2016-02-18 US disclosed
WO-2014145642-A9 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 WO disclosed
WO-2014145642-A2 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 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-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY NFE2L2, KEAP1, GSTK1 LPL 3145/4885LIPG 1796/4885NPC1 755/4885

“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.