SCHEMBL3484699

SCHEMBL3484699

COc1ccc(C(=O)C(C)C)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
HPGD P15428 4/20 0.48
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
PPARG P37231 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
AKR1C3 P42330 4/20 0.43
AKR1C2 P52895 4/20 0.43
PTGS2 P35354 3/20 0.42
CYP1A2 P05177 3/20 0.42
PTGS1 P23219 2/20 0.42
LMNA P02545 2/20 0.42
PGR P06401 2/20 0.42
SLC6A2 P23975 2/20 0.42
CYP2C19 P33261 2/20 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
SCHEMBL8397291 0.88 NPC1 (0.47) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL16163247 0.88 HPGD (0.57) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL3639792 0.82 NPC1 (0.68) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL757099 0.82 HTT (0.55) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL14519861 0.82 NPC1 (0.60) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL9726513 0.81 RAB9A (0.66) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL30513985 0.81 CPS1 (0.58) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL9559907 0.81 ALDH1A1 (0.49) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL9744992 0.80 MAPT (0.47) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL29757182 0.80 CA1 (0.53) NPC1RAB9AHPGDCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
EP-2049107-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES Genfit (FR) 2009-04-22 EP disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 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-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES IPO5, PPIP5K2, IPO4 NPC1 1123/4885RAB9A 1905/4885HPGD 388/4885

“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.