SCHEMBL16724653

SCHEMBL16724653

COc1c(CO)c(CO)cc2nc(-c3ccc(-n4cncc4-c4ccccc4)cc3)sc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.40
HSP90AB1 P08238 3/20 0.40
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
CARM1 Q86X55 1/20 0.34
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CRBN Q96SW2 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
IDO1 P14902 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
SCHEMBL16724626 0.93 HSP90AA1 (0.34) HSP90AA1HSP90AB1CYP11B1CYP11B2CRBN
SCHEMBL16724625 0.92 APP (0.36) HSP90AA1HSP90AB1RAB9ASMN1; SMN2KDM4E
SCHEMBL16724641 0.90 HSP90AA1 (0.33) HSP90AA1HSP90AB1FGFR1SRCRAB9A
SCHEMBL16724636 0.90 HSP90AA1 (0.33) HSP90AA1HSP90AB1FGFR1SRCRAB9A
SCHEMBL16724639 0.89 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL16724621 0.88 HSP90AA1 (0.36) HSP90AA1HSP90AB1CYP11B1CYP11B2CRBN
SCHEMBL16724656 0.87 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL16724629 0.86 HSP90AA1 (0.33) HSP90AA1HSP90AB1FGFR1SRCRAB9A
SCHEMBL16724657 0.86 HTR7 (0.39) HSP90AA1HSP90AB1RAB9ASMN1; SMN2NPC1
SCHEMBL16724649 0.85 HSP90AA1 (0.35) HSP90AA1HSP90AB1

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 115/4885CYP11B1 1158/4885

“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.