SCHEMBL864708

SCHEMBL864708

Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(CCCCCCC(=O)O)c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ USP2 O75604 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ GSR P00390 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP7 P55210 3/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ BRCA1 P38398 2/20 0.36
▸ RECQL P46063 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
SCHEMBL864002 0.88 MAPT (0.44) KDM4EMEN1USP2KMT2AMAPT
SCHEMBL863811 0.81 MEN1 (0.67) KDM4EMEN1USP2KMT2AMAPT
SCHEMBL865105 0.81 MEN1 (0.67) KDM4EMEN1USP2KMT2AMAPT
SCHEMBL8510100 0.78 KDM4E (0.42) KDM4EMEN1USP2KMT2AMAPT
SCHEMBL16476446 0.78 KDM4E (0.43) KDM4EMEN1USP2KMT2AMAPT
Iodide SCHEMBL17254512 0.77 KDM4E (0.43) KDM4EMEN1USP2KMT2AMAPT
SCHEMBL14399199 0.75 SMN1; SMN2 (0.58) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL16479714 0.75 KDM4E (0.46) KDM4EMEN1USP2KMT2AMAPT
SCHEMBL13496301 0.74 MEN1 (0.57) KDM4EMEN1USP2KMT2AMAPT
SCHEMBL863653 0.74 MEN1 (0.57) KDM4EMEN1USP2KMT2AMAPT

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
WO-2013040412-A2 METHODS FOR INHIBITING BACTERIA GROWTH BIORELIX, INC. (US) 2013-03-21 — — WO 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
CN-102176825-A Flavin derivatives BIORELIX PHARMACEUTICALS INC 2011-09-07 — — CN 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 KDM4E 1942/4885MEN1 4416/4885USP2 3808/4885

“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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