Sugi Predict

Sugi Predict / Compounds / SCHEMBL7983804

SCHEMBL7983804

SCHEMBL7983804

N#Cc1ccc(CBr)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.47
▸ MAOB P27338 4/20 0.38
▸ MAOA P21397 3/20 0.37
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CYP19A1 P11511 3/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ UPP1 Q16831 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 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
SCHEMBL2997723 0.82 SNCA (0.49) SNCAMAOBMAOACA1CA2
SCHEMBL5066101 0.81 MAOB (0.49) SNCAMAOBMAOATRPV4
SCHEMBL2997720 0.80 SNCA (0.47) SNCAMAOBMAOACA1CA2
SCHEMBL4260283 0.80 TRPA1 (0.57) SNCACYP3A4CYP2D6DRD2TSHR
SCHEMBL305883 0.78 MAOB (0.42) SNCAMAOBMAOACYP19A1TRPV4
SCHEMBL5678863 0.77 CYP2D6 (0.46) SNCACYP19A1CYP3A4CYP2D6DRD2
SCHEMBL240133 0.76 TRPV4 (0.57) MAOBMAOATRPV4
SCHEMBL2546677 0.76 TSHR (0.43) MAOBMAOATRPV4TSHR
SCHEMBL4387962 0.76 MAOB (0.38) SNCAMAOBMAOATRPV4CYP3A4
SCHEMBL2569992 0.76 TRPV4 (0.52) MAOBMAOATRPV4ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 — — US disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 — — EP disclosed
US-6077853-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-06-20 — — US disclosed
EP-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 — — EP disclosed
US-5939439-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-08-17 — — US disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 — — WO disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 — — 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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN SNCA 4595/4885MAOB 4854/4885MAOA 4850/4885

“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.