SCHEMBL16724628

SCHEMBL16724628

COc1cc(-c2cncn2-c2ccc(-c3nc4cc(CO)cc(OC)c4s3)cc2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.36
HSP90AB1 P08238 4/20 0.36
ROCK2 O75116 1/20 0.35
PTGS2 P35354 2/20 0.34
FYN P06241 5/20 0.34
AHR P35869 1/20 0.33
GRM5 P41594 1/20 0.32

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
SCHEMBL16724634 0.90 HSP90AA1 (0.36) HSP90AA1HSP90AB1FYN
SCHEMBL16724619 0.88 HSP90AA1 (0.36) HSP90AA1HSP90AB1FYN
SCHEMBL16714465 0.88 HSP90AA1 (0.38) HSP90AA1HSP90AB1PTGS2AHR
SCHEMBL16724617 0.88 HSP90AA1 (0.41) HSP90AA1HSP90AB1FYN
SCHEMBL16724646 0.87 APP (0.38) HSP90AA1HSP90AB1FYN
SCHEMBL16724655 0.86 HSP90AA1 (0.38) HSP90AA1HSP90AB1FYN
SCHEMBL16724623 0.86 HSP90AA1 (0.35) HSP90AA1HSP90AB1FYNAHR
SCHEMBL16724638 0.86 HSP90AA1 (0.35) HSP90AA1HSP90AB1FYN
SCHEMBL16724610 0.86 APP (0.46) AHR
SCHEMBL16724656 0.85 HSP90AA1 (0.34) HSP90AA1HSP90AB1ROCK2PTGS2AHR

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-9187467-B2 2-phenyl benzothiazole linked imidazole compounds as potential anticancer agents and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-11-17 US disclosed
US-20150141657-A1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-21 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-20150141657-A1 2-PHENYL BENZOTHIAZOLE LINKED IMIDAZOLE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF NFE2L2, TPT1, CCNT1 HSP90AA1 206/4885HSP90AB1 115/4885ROCK2 2345/4885

“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.