SCHEMBL864351

SCHEMBL864351

Cc1cc(N)c(NCCCCCCC(=O)O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FABP4 P15090 2/20 0.43
LMNA P02545 1/20 0.41
NQO2 P16083 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MAPK1 P28482 2/20 0.41
PRSS1 P07477 4/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40

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
SCHEMBL28423866 0.98 KDM4E (0.45) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL865777 0.89 KDM4E (0.43) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL3379700 0.85 KDM4E (0.41) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL864917 0.84 KDM4E (0.40) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL13496382 0.81 GUCY1A1 (0.58) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL864262 0.81 ALDH1A1 (0.51) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL4825292 0.79 NQO2 (0.51) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL12959658 0.79 PRSS1 (0.41) PRSS1
SCHEMBL864589 0.77 MAPT (0.54) KDM4EMAPTLMNAPRSS1
SCHEMBL4820499 0.77 ALDH1A1 (0.48) KDM4EALDH1A1GAAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108676007-B Radionuclide-labeled benzopteridine derivative and preparation method and application thereof 厦门大学 2020-06-26 CN 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
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
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.