SCHEMBL16428580

SCHEMBL16428580

CCc1c(O)cc(=O)[nH]c1-c1ccc2[nH]c(-c3ccc(C#N)cc3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
CDK5 Q00535 4/20 0.45
CDK5R1 Q15078 4/20 0.45
AKT1 P31749 1/20 0.38
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
IDH1 O75874 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
MARK3 P27448 1/20 0.34
GSK3A P49840 1/20 0.34
KCNQ2 O43526 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL14745520 0.81 CYP19A1 (0.44) CYP19A1CDK5CDK5R1AKT1FFAR1
SCHEMBL15058859 0.72 CYP19A1 (0.81) CYP19A1CDK5CDK5R1AKT1GSK3A
SCHEMBL16441015 0.71 CA2 (0.41) GPR84
SCHEMBL693721 0.70 CYP19A1 (0.61) CYP19A1CDK5CDK5R1AKT1FFAR1
SCHEMBL16382899 0.70 CYP19A1 (0.63) CYP19A1CDK5CDK5R1AKT1GSK3A
SCHEMBL693207 0.69 CYP19A1 (0.52) CYP19A1CDK5CDK5R1AKT1HDAC6
SCHEMBL16428431 0.69 PGR (0.39) GPR84
SCHEMBL16441013 0.69 CA2 (0.41) FFAR1
SCHEMBL14745185 0.68 PPARG (0.46) CYP19A1FFAR1
SCHEMBL14744717 0.68 XDH (0.41)

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-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP CYP19A1 4758/4885CDK5 4513/4885CDK5R1 4628/4885

“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.