SCHEMBL12958601

SCHEMBL12958601

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCN3CCCc4ccccc43)c2cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.53
▸ KMT2A Q03164 8/20 0.53
▸ KDM4E B2RXH2 6/20 0.53
▸ MAPT P10636 4/20 0.53
▸ HTT P42858 4/20 0.53
▸ USP2 O75604 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ IDO1 P14902 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.47
▸ HAT1 O14929 4/20 0.47
▸ RBBP7 Q16576 4/20 0.47
▸ RECQL P46063 3/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ BRCA1 P38398 2/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TST Q16762 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ LMNA P02545 1/20 0.47

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
SCHEMBL12959294 0.97 MEN1 (0.52) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL12958564 0.94 MEN1 (0.55) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL12958567 0.85 MEN1 (0.53) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL12958970 0.84 MEN1 (0.58) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL12958966 0.81 MEN1 (0.60) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL12958980 0.81 MEN1 (0.55) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL12958547 0.79 MEN1 (0.64) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL12959299 0.78 MEN1 (0.63) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL12958569 0.76 MEN1 (0.56) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL12958979 0.76 MEN1 (0.49) MEN1KMT2AKDM4EMAPTHTT

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-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
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 — — 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-20120295903-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.

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