Sugi Predict

Sugi Predict / Compounds / SCHEMBL10195208

SCHEMBL10195208

SCHEMBL10195208

CCc1ccc(Oc2cnc3ccc(Br)cc3n2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTT P42858 4/20 0.31
▸ RAB9A P51151 3/20 0.30
▸ NPC1 O15118 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL10195281 0.89 HTT (0.41) MAPTALDH1A1HPGDNPSR1LMNA
SCHEMBL10195452 0.88 PDE4B (0.32) TP53
SCHEMBL16180987 0.87 HTT (0.37) ALDH1A1HPGDNPSR1LMNAHTT
SCHEMBL10195297 0.86 HTT (0.36) ALDH1A1HPGDNPSR1LMNAHTT
SCHEMBL10195149 0.86 CYP1A2 (0.40) TP53MAPTALDH1A1HPGDNPSR1
SCHEMBL10195074 0.82 MAOB (0.41) ALDH1A1HPGDNPSR1LMNASMN1; SMN2
SCHEMBL10195213 0.81 FFAR1 (0.34) ALDH1A1HPGD
SCHEMBL10195495 0.81 ALDH1A1 (0.37) TP53MAPTALDH1A1HPGDNPSR1
SCHEMBL10192898 0.80 CYP1A2 (0.41) TP53MAPTALDH1A1HPGDNPSR1
SCHEMBL10196236 0.80 ALDH1A1 (0.34) TP53MAPTALDH1A1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 — — EP disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 — — US disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 — — US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 — — US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 — — US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 — — US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 — — US disclosed
WO-2010081755-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 — — 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 (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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 TP53 3026/4885MAPT 3785/4885ALDH1A1 45/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 TP53 3477/4885MAPT 3903/4885ALDH1A1 14/4885

“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.