SCHEMBL6329800

SCHEMBL6329800

Cc1ccc(-c2csc(-n3ncc(C(N)=O)c3C)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
HPGD P15428 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
RAB9A P51151 9/20 0.52
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
ATM Q13315 2/20 0.48
AR P10275 1/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGER4 P35408 1/20 0.47

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
SCHEMBL6255206 0.89 RAB9A (0.58) KDM4EHPGDL3MBTL1RAB9ANPC1
SCHEMBL6331924 0.86 KDM4E (0.58) KDM4EHPGDL3MBTL1RAB9ANPC1
SCHEMBL12875608 0.85 MEN1 (0.62) KDM4EHPGDL3MBTL1RAB9ANPC1
SCHEMBL14196468 0.81 RAB9A (0.60) KDM4EHPGDL3MBTL1RAB9ANPC1
SCHEMBL12875465 0.80 RAB9A (0.63) KDM4EHPGDL3MBTL1RAB9ANPC1
SCHEMBL12875498 0.80 RAB9A (0.71) KDM4EHPGDL3MBTL1RAB9ANPC1
SCHEMBL12875471 0.80 RAB9A (0.72) KDM4EHPGDL3MBTL1RAB9ANPC1
SCHEMBL14196471 0.79 RAB9A (0.61) KDM4EHPGDL3MBTL1RAB9ANPC1
SCHEMBL6337719 0.79 KDM4E (0.48) KDM4EHPGDL3MBTL1RAB9ANPC1
SCHEMBL6334185 0.78 KDM4E (0.48) KDM4EHPGDL3MBTL1RAB9ANPC1

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 2 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
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US 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 KDM4E 4506/4885HPGD 1166/4885L3MBTL1 915/4885

“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.