SCHEMBL6252872

SCHEMBL6252872

Cc1c(Nc2nc(-c3ccc4ccccc4c3)cs2)cccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.64
▸ CSNK2A1 P68400 5/20 0.62
▸ CSNK2A2 P19784 1/20 0.62
▸ CSNK2B P67870 1/20 0.62
▸ CSNK2A3 Q8NEV1 1/20 0.62
▸ NPC1 O15118 3/20 0.58
▸ AR P10275 1/20 0.54
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ MAPT P10636 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ PTGES O14684 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ VCP P55072 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ THRB P10828 1/20 0.53

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
SCHEMBL6182547 0.84 RAB9A (0.54) RAB9ACSNK2A1NPC1MEN1KMT2A
SCHEMBL31268012 0.81 NPC1 (0.66) RAB9ACSNK2A1NPC1MEN1KMT2A
SCHEMBL7230158 0.79 RAB9A (0.65) RAB9ACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL7230691 0.79 RAB9A (0.65) RAB9ACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL31268017 0.79 CCR4 (0.56) RAB9ACSNK2A1NPC1ARMEN1
SCHEMBL7239062 0.78 RAB9A (1.00) RAB9ACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL12297768 0.78 CCR4 (0.75) RAB9ACSNK2A1NPC1ARMEN1
SCHEMBL30581066 0.77 RAB9A (0.78) RAB9ACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL7235882 0.77 CSNK2A1 (0.70) RAB9ACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL12298173 0.76 CSNK2A1 (1.00) RAB9ACSNK2A1CSNK2A2CSNK2BCSNK2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 — — US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 — — EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 — — US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 — — 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 RAB9A 2138/4885CSNK2A1 3493/4885CSNK2A2 3619/4885

“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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