Sugi Predict

Sugi Predict / Compounds / SCHEMBL783489

SCHEMBL783489

SCHEMBL783489

COC(C)c1ccncc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ RPS6KA3 P51812 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CHUK O15111 1/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ PRKCG P05129 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
SCHEMBL793897 0.82 CA12 (0.33) CA12CA1CA2CA9AXL
SCHEMBL14225116 0.80 CA12 (0.37) CA12CA1CA2CA9TP53
SCHEMBL3810939 0.79 RPS6KA3 (0.42) CA12CA1CA2CA9RPS6KA3
SCHEMBL31250363 0.79 RPS6KA3 (0.42) CA12CA1CA2CA9RPS6KA3
SCHEMBL25039074 0.78 TRPA1 (0.33) CA12CA1CA2CA9RPS6KA3
SCHEMBL18393136 0.77 GAA (0.41) RPS6KA3TP53CYP3A4MAPTCASP1
SCHEMBL782704 0.76 RPS6KA3 (0.37) RPS6KA3AXLCCNCCDK8TP53
SCHEMBL14992193 0.74 SLC6A2 (0.33) CHUK
SCHEMBL22912525 0.73 GAA (0.36) CA12CA1CA2CA9CHUK
SCHEMBL31407208 0.73 CYP3A4 (0.38) CA12CA1CA2CA9RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 — — US disclosed
EP-2430018-B1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS NOVARTIS AG (CH) 2013-07-03 — — EP disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 — — US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 — — US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 — — US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 — — US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 — — US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 — — US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 — — 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-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 CA12 2989/4885CA1 3047/4885CA2 2364/4885
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 CA12 2651/4885CA1 1938/4885CA2 793/4885

“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.