SCHEMBL16724641

SCHEMBL16724641

COc1cc(-c2cncn2-c2ccc(-c3nc4cc(CO)c(CO)c(OC)c4s3)cc2)cc(CO)c1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.33
HSP90AB1 P08238 4/20 0.33
PDE5A O76074 3/20 0.32
PDE4A P27815 3/20 0.32
PDE1A P54750 3/20 0.32
PDE1B Q01064 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
PDE3B Q13370 3/20 0.32
PDE1C Q14123 3/20 0.32
PDE3A Q14432 3/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 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
SCHEMBL16724636 0.93 HSP90AA1 (0.33) HSP90AA1HSP90AB1PDE5APDE4APDE1A
SCHEMBL16724656 0.91 HSP90AA1 (0.34) HSP90AA1HSP90AB1PDE5APDE4APDE1A
SCHEMBL16724623 0.90 HSP90AA1 (0.35) HSP90AA1HSP90AB1PDE5APDE4APDE1A
SCHEMBL16724653 0.90 HSP90AA1 (0.40) HSP90AA1HSP90AB1KDM4ERAB9ASMN1; SMN2
SCHEMBL16724626 0.90 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL16724625 0.89 APP (0.36) HSP90AA1HSP90AB1KDM4ERAB9ASMN1; SMN2
SCHEMBL16724621 0.88 HSP90AA1 (0.36) HSP90AA1HSP90AB1
SCHEMBL16724629 0.88 HSP90AA1 (0.33) HSP90AA1HSP90AB1PDE5APDE4APDE1A
SCHEMBL16724639 0.87 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL16724620 0.84 APP (0.45) KDM4ERAB9ASMN1; SMN2TUBB4ATUBB

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 115/4885PDE5A 3351/4885

“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.