SCHEMBL865112

SCHEMBL865112

CCOC(=O)CCCCCCNc1cc(Cl)c(C)cc1N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 1/20 0.48
PTGER4 P35408 2/20 0.42
ALOX15 P16050 2/20 0.40
NAMPT P43490 1/20 0.40
CISD1 Q9NZ45 6/20 0.39
TOP2A P11388 1/20 0.39
CYP1A2 P05177 1/20 0.38
EPHX2 P34913 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL864853 0.86 KDM4E (0.46) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL865777 0.85 KDM4E (0.43) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL864653 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL864639 0.81 MAPT (0.61) ALDH1A1KDM4EMAPTGAAPTGER4
SCHEMBL864697 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL26665186 0.72 MAPT (0.53) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL405745 0.72 TDP1 (0.45) ALDH1A1KDM4EMAPTALOX15CISD1
SCHEMBL4826649 0.72 MAPT (0.55) ALDH1A1KDM4EMAPTHSD17B10GAA
SCHEMBL21533507 0.72 TOP2A (0.47) ALDH1A1KDM4EMAPTHSD17B10TOP2A
SCHEMBL15415957 0.72 PTGER4 (0.50) ALDH1A1KDM4EMAPTHSD17B10GAA

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 5 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
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP 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 ALDH1A1 807/4885KDM4E 1942/4885MAPT 4674/4885

“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.