SCHEMBL1046544

SCHEMBL1046544

CCCCCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.65
KMT2A Q03164 8/20 0.65
USP2 O75604 5/20 0.65
KDM4E B2RXH2 4/20 0.65
HTT P42858 3/20 0.65
MAPT P10636 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
RXFP1 Q9HBX9 2/20 0.65
IDO1 P14902 1/20 0.65
HAT1 O14929 4/20 0.57
RBBP7 Q16576 4/20 0.57
RECQL P46063 3/20 0.57
CASP1 P29466 2/20 0.57
BRCA1 P38398 2/20 0.57
CASP7 P55210 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TST Q16762 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
CYP1A2 P05177 2/20 0.57

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
SCHEMBL17746904 1.00 MEN1 (0.65) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL29959761 1.00 MEN1 (0.65) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL3475382 1.00 MEN1 (0.65) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL10337856 1.00 MEN1 (0.65) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL16476449 1.00 MEN1 (0.65) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL12959329 0.99 MEN1 (0.67) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL14335565 0.95 MEN1 (0.68) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL3473642 0.94 MEN1 (0.58) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL3473046 0.94 MEN1 (0.57) MEN1KMT2AUSP2KDM4EHTT
SCHEMBL20906884 0.90 MEN1 (0.71) MEN1KMT2AUSP2KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO disclosed
US-7514404-B2 PNA-neamine conjugates and methods for producing and using the same UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY (US) 2009-04-07 US disclosed
US-20070225239-A1 Pna-Neamine Conjugates and Methods for Producing and Using the Same NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-09-27 US 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 (2 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS MEN1 4416/4885KMT2A 3259/4885USP2 3808/4885
US-20070225239-A1 Pna-Neamine Conjugates and Methods for Producing and Using the Same NCL, PNMT, RNMT MEN1 1374/4885KMT2A 1369/4885USP2 4265/4885

“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.