SCHEMBL6257706

SCHEMBL6257706

CCOC(=O)C1=C(NCCc2ccccc2)CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.46
KMT2A Q03164 9/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ESRRG P62508 1/20 0.40
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL6281284 0.91 GRM1 (0.44) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6253821 0.91 ALDH1A1 (0.43) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6253517 0.90 MEN1 (0.44) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6251429 0.89 KMT2A (0.48) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6334402 0.88 MAPT (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6254042 0.86 KMT2A (0.51) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6257181 0.83 ALDH1A1 (0.48) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6333904 0.79 MAPT (0.43) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL6253202 0.75 NPC1 (0.46) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL5727368 0.73 CASP3 (0.49) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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 MEN1 4471/4885KMT2A 3796/4885RAB9A 2138/4885

“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.