SCHEMBL864795

SCHEMBL864795

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCNCc3ccccc3)c2cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
KDM4E B2RXH2 5/20 0.59
USP2 O75604 4/20 0.59
HTT P42858 4/20 0.59
MAPT P10636 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
RXFP1 Q9HBX9 2/20 0.59
IDO1 P14902 1/20 0.59
HAT1 O14929 4/20 0.52
RBBP7 Q16576 4/20 0.52
RECQL P46063 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CASP1 P29466 2/20 0.52
BRCA1 P38398 2/20 0.52
CASP7 P55210 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TST Q16762 2/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL12958653 0.94 MEN1 (0.55) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL12958643 0.94 MEN1 (0.57) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL864749 0.93 MEN1 (0.52) MEN1KMT2AKDM4EUSP2HTT
Trifluoroacetic Acid SCHEMBL864102 0.93 MEN1 (0.56) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL10251990 0.92 MEN1 (0.57) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL10252166 0.92 KMT2A (0.59) MEN1KMT2AKDM4EUSP2HTT
Hydrochloric Acid SCHEMBL863762 0.91 MEN1 (0.56) MEN1KMT2AKDM4EUSP2HTT
Hydrochloric Acid SCHEMBL865034 0.91 KMT2A (0.58) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL12958976 0.91 KMT2A (0.58) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL10252091 0.90 MEN1 (0.55) MEN1KMT2AKDM4EUSP2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130129695-A1 METHODS FOR TREATING OR INHIBITING INFECTION BY CLOSTRIDIUM DIFFICILE BLOUNT KENNETH (US) 2013-05-23 US disclosed
US-20130129695-A1 METHODS FOR TREATING OR INHIBITING INFECTION BY CLOSTRIDIUM DIFFICILE BLOUNT KENNETH (US) 2013-05-23 US disclosed
WO-2013040412-A2 METHODS FOR INHIBITING BACTERIA GROWTH BIORELIX, INC. (US) 2013-03-21 WO 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
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
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 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
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 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 (3 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-20130129695-A1 METHODS FOR TREATING OR INHIBITING INFECTION BY CLOSTRIDIUM DIFFICILE TRDMT1, TRMT1, TRMT1L MEN1 4795/4885KMT2A 1446/4885KDM4E 1028/4885
US-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS MEN1 4416/4885KMT2A 3259/4885KDM4E 1942/4885
US-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS MEN1 4416/4885KMT2A 3259/4885KDM4E 1942/4885

“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.