Sugi Predict

Sugi Predict / Compounds / SCHEMBL2832020

SCHEMBL2832020

SCHEMBL2832020

NC(=O)C(CBr)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ CES2 O00748 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ CNR2 P34972 2/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ KCNN4 O15554 3/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KCNQ2 O43526 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ TDO2 P48775 2/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL27607833 0.85 CES2 (0.44) GAACES2CES1CNR2CYP3A4
SCHEMBL4453243 0.82 GAA (0.45) GAACES2CES1CNR2EPHX1
SCHEMBL3364493 0.82 KCNQ2 (0.48) GAACES2CES1CNR2EPHX1
SCHEMBL4757419 0.79 TAS1R3 (0.43) GAACES2CES1CNR2EPHX1
SCHEMBL1568339 0.79 EPHX1 (0.62) GAACNR2EPHX1ALDH1A1IDO1
SCHEMBL11078265 0.79 GAA (0.43) GAACES2CES1CNR2EPHX1
SCHEMBL4245530 0.77 GAA (0.53) GAACES2CES1CNR2KCNN4
SCHEMBL7470109 0.76 GAA (0.49) GAACES2CES1CNR2CYP3A4
SCHEMBL6774538 0.73 CES2 (0.61) GAACES2CES1CNR2CYP3A4
SCHEMBL27602661 0.73 GAA (0.50) GAACES2CES1CNR2CYP3A4

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
EP-1495002-B1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2012-09-05 — — EP disclosed
US-8247562-B2 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2012-08-21 — — US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 — — US disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 — — US disclosed
US-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors ASTRAZENECA AB (SE) 2005-08-04 — — US disclosed
EP-1495002-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS Astrazeneca AB (SE) 2005-01-12 — — EP disclosed
WO-2003087057-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-23 — — 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 (3 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-20050171103-A1 Benzamide derivatives useful as histone deacetylase inhibitors HDAC3, HDAC1, HDAC4 GAA 119/4885CES2 238/4885CES1 131/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 GAA 168/4885CES2 223/4885CES1 110/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 GAA 98/4885CES2 230/4885CES1 144/4885

“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.