SCHEMBL5994174

SCHEMBL5994174

Cc1c(C(=O)Nc2ccccc2)nc(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 12/20 0.64
ABCB11 O95342 3/20 0.62
SLCO1B1 Q9Y6L6 3/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
NR1I2 O75469 1/20 0.62
RHOC P08134 1/20 0.62
CYP3A4 P08684 1/20 0.62
THRB P10828 1/20 0.62
NR1H4 Q96RI1 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.62
ABCC3 O15438 2/20 0.53
ABCC4 O15439 2/20 0.53
SLCO1B3 Q9NPD5 2/20 0.53

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
SCHEMBL5225591 1.00 HMGCR (0.64) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL6358043 0.96 HMGCR (0.61) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL5221732 0.91 HMGCR (0.78) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL5993546 0.91 HMGCR (0.78) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL5991751 0.90 HMGCR (0.67) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL5225072 0.88 HMGCR (0.60) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL5224981 0.87 HMGCR (0.84) HMGCR
SCHEMBL5223753 0.86 HMGCR (0.61) HMGCRABCB11SLCO1B1HDAC1HDAC2
SCHEMBL5224424 0.85 HMGCR (0.70) HMGCR
SCHEMBL5223960 0.84 HMGCR (0.57) HMGCRABCB11SLCO1B1HDAC1HDAC2

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-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 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-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX HMGCR 3534/4885ABCB11 3458/4885SLCO1B1 3628/4885

“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.