Sugi Predict

Sugi Predict / Compounds / SCHEMBL4865097

SCHEMBL4865097

SCHEMBL4865097

O=C(CCBr)Nc1cccc2[nH]nnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ HDAC3 O15379 3/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ PARP14 Q460N5 1/20 0.36
▸ HTR6 P50406 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 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
SCHEMBL4866567 0.83 ALDH1A1 (0.46) POLBHTTSMN1; SMN2TDP1ALDH1A1
SCHEMBL11669218 0.83 CETP (0.50) POLBHDAC3HDAC1HDAC2HDAC4
SCHEMBL29021933 0.83 NPC1 (0.40) POLBHTTHDAC3HDAC1HDAC2
SCHEMBL29791629 0.81 MEN1 (0.41) POLBSMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL1757402 0.78 HTT (0.33) POLBHTTSMN1; SMN2TDP1ALDH1A1
SCHEMBL31388185 0.78 ALDH1A1 (0.46) POLBPARP14ALDH1A1GAAMEN1
SCHEMBL30776547 0.78 GAA (0.45) POLBALDH1A1GAAMAPT
SCHEMBL28435031 0.78 GAA (0.45) POLBALDH1A1GAAMAPT
SCHEMBL31388206 0.77 ALDH1A1 (0.44) POLBPARP14ALDH1A1GAAMEN1
SCHEMBL28458586 0.77 PLAU (0.38) POLBHTTHDAC3HDAC1HDAC2

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-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 — — US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 — — EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 — — US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 — — US disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 — — EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 — — US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 — — 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A POLB 2675/4885HTT 2557/4885HDAC3 318/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A POLB 2485/4885HTT 2259/4885HDAC3 317/4885

“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.