SCHEMBL2556554

SCHEMBL2556554

CCC(=O)Nc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ USP2 O75604 3/20 0.49
▸ HTT P42858 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ IDO1 P14902 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ HAT1 O14929 4/20 0.42
▸ RBBP7 Q16576 4/20 0.42
▸ KAT7 O95251 1/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ CASP7 P55210 3/20 0.42
▸ RECQL P46063 3/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ BRCA1 P38398 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42

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
SCHEMBL14667995 0.93 MEN1 (0.51) MEN1KMT2AKDM4EMAPTUSP2
SCHEMBL12287082 0.91 MEN1 (0.53) MEN1KMT2AKDM4EMAPTUSP2
SCHEMBL12287524 0.89 MEN1 (0.49) MEN1KMT2AKDM4EMAPTUSP2
SCHEMBL12286957 0.86 MEN1 (0.59) MEN1KMT2AKDM4EMAPTUSP2
SCHEMBL12287664 0.86 KMT2A (0.46) MEN1KMT2AKDM4EMAPTUSP2
SCHEMBL12287049 0.85 HAT1 (0.53) MEN1KMT2AKDM4EMAPTUSP2
SCHEMBL14658429 0.85 MEN1 (0.52) MEN1KMT2AKDM4EMAPTUSP2
SCHEMBL14668000 0.84 MEN1 (0.55) MEN1KMT2AKDM4EMAPTUSP2
SCHEMBL12287092 0.84 MEN1 (0.58) MEN1KMT2AKDM4EMAPTUSP2
SCHEMBL12286948 0.83 HAT1 (0.49) MEN1KMT2AKDM4EMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555623-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2013-02-13 — — EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 — — US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 — — US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 — — US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 — — WO disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 — — 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS MEN1 4701/4885KMT2A 3363/4885KDM4E 2353/4885

“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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