SCHEMBL864715

SCHEMBL864715

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCCCC(=O)O)c2cc1N[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ USP2 O75604 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ BRD4 O60885 2/20 0.41
▸ PIM1 P11309 5/20 0.39
▸ PIM2 Q9P1W9 5/20 0.39
▸ USP30 Q70CQ3 1/20 0.37
▸ CASP1 P29466 2/20 0.36
▸ BRCA1 P38398 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HAT1 O14929 2/20 0.36
▸ RBBP7 Q16576 2/20 0.36

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
SCHEMBL1836572 1.00 MEN1 (0.44) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL864951 1.00 MEN1 (0.44) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL10251423 0.92 MEN1 (0.44) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL864131 0.92 MEN1 (0.44) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL863805 0.87 MEN1 (0.52) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL864892 0.85 MEN1 (0.51) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL864684 0.85 MEN1 (0.47) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL864474 0.85 MEN1 (0.47) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL864723 0.85 MEN1 (0.51) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL866581 0.85 MEN1 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-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.

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