Sugi Predict

Sugi Predict / Compounds / Iodide

Iodide

Iodide

SCHEMBL5459920

CCOC(=O)c1cccc(Oc2ccc(-c3csc(N)n3)cc2)c1.I

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ F10 P00742 3/20 0.50
▸ F2 P00734 1/20 0.50
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LTA4H P09960 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ICAM1 P05362 1/20 0.46
▸ SELE P16581 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL12592133 0.86 MAPT (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4743571 0.82 ALDH1A1 (0.61) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6829100 0.80 LMNA (0.59) NPC1RAB9AF10F2MAPT
SCHEMBL8737053 0.77 MEN1 (0.60) NPC1RAB9AF10F2MAPT
SCHEMBL9938318 0.77 MEN1 (0.70) NPC1RAB9AF10F2MAPT
SCHEMBL7220970 0.76 CDC25A (0.60) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL930833 0.76 MEN1 (0.62) NPC1RAB9AF10F2MAPT
SCHEMBL19626601 0.75 TSHR (0.54) MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL5465044 0.75 MAPT (0.61) NPC1RAB9AF10F2MAPT
SCHEMBL9170741 0.75 MEN1 (0.58) NPC1RAB9AF10F2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082934-A1 Substituted 4-aryloxy and 4-arylsulfanyl-phenyl-2-aminothiazoles as inhibitors of cell proliferation UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-04-12 — — US claimed
WO-2005044263-A1 SUBSTITUTED 4-ARYLOXY AND 4-ARYLSULFANYL-PHENYL-2-AMINOTHIAZOLES AS INHIBITORS OF CELL PROLIFERATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-05-19 — — WO claimed
US-20070082934-A1 Substituted 4-aryloxy and 4-arylsulfanyl-phenyl-2-aminothiazoles as inhibitors of cell proliferation UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-04-12 — — US disclosed
WO-2005044263-A1 SUBSTITUTED 4-ARYLOXY AND 4-ARYLSULFANYL-PHENYL-2-AMINOTHIAZOLES AS INHIBITORS OF CELL PROLIFERATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-05-19 — — WO 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-20070082934-A1 Substituted 4-aryloxy and 4-arylsulfanyl-phenyl-2-aminothiazoles as inhibitors of cell proliferation MKI67, CCNI, CDK4 NPC1 3129/4885RAB9A 4530/4885F10 3741/4885

“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.