SCHEMBL6251676

SCHEMBL6251676

CCc1c(C(=O)N2CCN(C(=O)C(C)C)C(C)C2)cnn1-c1nc(-c2ccc(OC)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 9/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 3/20 0.44
USP2 O75604 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
CPS1 P31327 1/20 0.39
HPGD P15428 6/20 0.38
KDM4E B2RXH2 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL6225996 0.91 ALDH1A1 (0.46) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL6255097 0.87 ALDH1A1 (0.51) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL6249260 0.81 MEN1 (0.42) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL6249552 0.80 NPC1 (0.41) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL6251735 0.78 PTGER4 (0.43) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6251489 0.77 RAB9A (0.70) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL6337679 0.77 MAPT (0.44) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6256256 0.77 LMNA (0.42) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6331731 0.71 RAB9A (0.47) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL6331727 0.67 RAB9A (0.44) RAB9AMEN1KMT2ANPC1ATM

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 2138/4885MEN1 4471/4885KMT2A 3796/4885

“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.