SCHEMBL4867735

SCHEMBL4867735

CC(=O)CC(=O)c1ccc(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 1/20 0.47
ERCC5 P28715 2/20 0.46
FEN1 P39748 2/20 0.46
P2RX7 Q99572 1/20 0.46
PYGL P06737 6/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
CTSL P07711 1/20 0.42

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
SCHEMBL17295199 0.84 ERCC5 (0.51) HPGDNPC1RAB9AERCC5FEN1
SCHEMBL9423079 0.82 HPGD (0.49) HPGDNPC1RAB9AERCC5FEN1
SCHEMBL8492279 0.82 ERCC5 (0.67) HPGDERCC5FEN1ALDH1A1MAPK1
SCHEMBL18451321 0.80 HPGD (0.50) HPGDNPC1RAB9AERCC5FEN1
SCHEMBL3412192 0.80 TDP1 (0.47) HPGDNPC1RAB9AP2RX7ALDH1A1
SCHEMBL30228141 0.80 TDP1 (0.47) HPGDNPC1RAB9AP2RX7ALDH1A1
SCHEMBL473969 0.80 HPGD (0.53) HPGDNPC1RAB9AP2RX7PYGL
SCHEMBL30231714 0.80 HPGD (0.53) HPGDNPC1RAB9AP2RX7PYGL
SCHEMBL8967743 0.79 HPGD (0.46) HPGDNPC1RAB9AP2RX7PYGL
SCHEMBL8493470 0.79 ALDH1A1 (0.48) HPGDRAB9AERCC5FEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US disclosed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP 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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof MAPK1, NOS1, NOS2 HPGD 55/4885NPC1 1526/4885RAB9A 1257/4885

“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.