SCHEMBL4867130

SCHEMBL4867130

Cn1c(NC(=O)CCBr)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.59
▸ NPC1 O15118 5/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ MAPT P10636 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HTT P42858 3/20 0.50
▸ PDE11A Q9HCR9 1/20 0.50
▸ PDE10A Q9Y233 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SAE1 Q9UBE0 1/20 0.50
▸ UBA2 Q9UBT2 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ TSHR P16473 2/20 0.49

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
SCHEMBL7932793 0.82 RAB9A (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4004290 0.82 RAB9A (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3771751 0.79 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2175321 0.79 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13490130 0.77 RAB9A (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14773948 0.75 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL29510945 0.75 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12058609 0.74 RAB9A (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2822277 0.73 RAB9A (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5549522 0.73 MAPT (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10

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 RAB9A 1508/4885NPC1 2524/4885SMN1; SMN2 2385/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A RAB9A 1496/4885NPC1 2349/4885SMN1; SMN2 2336/4885

“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.

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