SCHEMBL13965817

SCHEMBL13965817

Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(CCN3CCC(C(=O)O)CC3)c2cc1NC1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OGFRL1 Q5TC84 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL13965819 0.97 PDE7A (0.35) KDM4EHSD17B10OPRM1OPRK1OGFRL1
SCHEMBL12958995 0.86 MEN1 (0.49) KDM4ECYP2D6HSD17B10LMNAPTGES
SCHEMBL13965816 0.85 KCNH2 (0.37) KDM4EHSD17B10HTR2AHPGDALDH1A1
SCHEMBL13965822 0.83 KDM4E (0.39) KDM4EHSD17B10HTR2AHPGDALDH1A1
SCHEMBL12958999 0.82 MEN1 (0.50) KDM4ECYP2D6HSD17B10LMNAPTGES
SCHEMBL13965821 0.82 OPRM1 (0.32) KDM4EOPRM1OPRK1OGFRL1HTR2A
SCHEMBL13965820 0.81 HTR2A (0.40) KDM4EHSD17B10HTR2AALDH1A1TSHR
SCHEMBL13965827 0.77 KDM4E (0.39) KDM4ECYP2D6HSD17B10LMNAHTR2A
SCHEMBL12958629 0.76 KDM4E (0.46) KDM4EHSD17B10LMNAHTR2AHPGD
SCHEMBL1052311 0.73 MEN1 (0.61) KDM4ECYP2D6HSD17B10LMNAHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 — — US 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS KDM4E 1942/4885CYP2D6 229/4885HSD17B10 794/4885

“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.

Send feedback