SCHEMBL16724646

SCHEMBL16724646

COc1cc(CO)cc2nc(-c3ccc(-n4cncc4-c4ccc(N)cc4)cc3)sc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.38
HSP90AA1 P07900 3/20 0.35
HSP90AB1 P08238 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MCHR1 Q99705 1/20 0.34
FYN P06241 2/20 0.34
TP53 P04637 2/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
NT5E P21589 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CRBN Q96SW2 1/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL16724617 0.92 HSP90AA1 (0.41) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1FYN
SCHEMBL16724619 0.92 HSP90AA1 (0.36) HSP90AA1HSP90AB1SMN1; SMN2FYNTP53
SCHEMBL16724638 0.89 HSP90AA1 (0.35) HSP90AA1HSP90AB1ALDH1A1FYN
SCHEMBL16724655 0.88 HSP90AA1 (0.38) APPHSP90AA1HSP90AB1FYNCRBN
SCHEMBL16724634 0.88 HSP90AA1 (0.36) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1FYN
SCHEMBL12479587 0.88 APP (0.44) APPHSP90AA1HSP90AB1SMN1; SMN2ALDH1A1
SCHEMBL16724647 0.88 HSP90AA1 (0.37) APPHSP90AA1HSP90AB1FYN
SCHEMBL16724628 0.87 HSP90AA1 (0.36) HSP90AA1HSP90AB1FYN
SCHEMBL16724642 0.87 HSP90AA1 (0.37) HSP90AA1HSP90AB1MCHR1FYN
SCHEMBL16724623 0.86 HSP90AA1 (0.35) HSP90AA1HSP90AB1SMN1; SMN2ALDH1A1FYN

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 APP 3975/4885HSP90AA1 206/4885HSP90AB1 115/4885

“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.