Sugi Predict

Sugi Predict / Compounds / SCHEMBL309306

SCHEMBL309306

SCHEMBL309306

COc1cc(Br)cc(C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ EGFR P00533 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ HCK P08631 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CYP1A1 P04798 1/20 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
SCHEMBL40553 0.84 ALDH1A1 (0.61) ALDH1A1ABL1KMT2AMEN1RAB9A
SCHEMBL12248242 0.84 ALDH1A1 (0.53) ALDH1A1GABRA1KMT2AMEN1RAB9A
SCHEMBL18933642 0.83 ALDH1A1 (0.39) ALDH1A1EGFRPIK3CDABL1HCK
SCHEMBL16950518 0.83 ALDH1A1 (0.39) ALDH1A1EGFRPIK3CDABL1HCK
SCHEMBL1989339 0.78 GABRA1 (0.46) ALDH1A1GABRA1GABRB1RAB9ACYP3A4
SCHEMBL2387700 0.78 GABRA1 (0.46) ALDH1A1GABRA1GABRB1RAB9ACYP3A4
SCHEMBL309832 0.78 ALDH1A1 (0.59) ALDH1A1ABL1KMT2AMEN1RAB9A
SCHEMBL202288 0.78 ALDH1A1 (0.69) ALDH1A1ABL1KMT2AMEN1RAB9A
SCHEMBL16952292 0.76 ALDH1A1 (0.36) ALDH1A1EGFRCYP1A1CYP1B1XDH
SCHEMBL12868153 0.76 ALDH1A1 (0.39) ALDH1A1GABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143596-A1 PESTICIDALLY ACTIVE DIAZINE-BISAMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 — — US disclosed
US-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 — — US disclosed
EP-2303857-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS Novartis AG (CH) 2011-04-06 — — EP disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 — — US disclosed
WO-2010003976-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2010-01-14 — — WO disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 — — US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 — — 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 (2 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-20230143596-A1 PESTICIDALLY ACTIVE DIAZINE-BISAMIDE COMPOUNDS DDT, ACHE, NIT2 ALDH1A1 1978/4885GABRA1 270/4885GABRB1 195/4885
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors BACE2, BACE1, APP ALDH1A1 2566/4885GABRA1 433/4885GABRB1 170/4885

“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.