SCHEMBL864853

SCHEMBL864853

Cc1cc(N)c(NCCCCCCC(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CISD1 Q9NZ45 7/20 0.38
HDAC8 Q9BY41 1/20 0.38
EPHX2 P34913 1/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PTGER4 P35408 1/20 0.34
MGLL Q99685 1/20 0.34
CD44 P16070 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRSS1 P07477 1/20 0.33

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
SCHEMBL864908 0.90 KDM4E (0.50) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL865112 0.86 ALDH1A1 (0.48) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL865777 0.83 KDM4E (0.43) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL865614 0.82 KDM4E (0.43) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL864704 0.82 MAPT (0.46) KDM4EALDH1A1GAAMAPTPRSS1
SCHEMBL30289439 0.78 KDM4E (0.47) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL20096588 0.77 STK17B (0.50) GAACA12CA1CA2CA9
SCHEMBL22511996 0.77 HDAC3 (0.51) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL5562865 0.73 CD44 (0.42) CA12CA1CA2CA9CD44
SCHEMBL20536454 0.73 HSD17B2 (0.38) MAPTCA12CA1CA2CA9

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 KDM4E 1942/4885ALDH1A1 807/4885GAA 3812/4885

“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.