SCHEMBL6255491

SCHEMBL6255491

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
HPGD P15428 4/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
RAB9A P51151 6/20 0.54
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
NPC1 O15118 5/20 0.53
ATM Q13315 1/20 0.53
PTGER4 P35408 1/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
NR4A3 Q92570 1/20 0.50
CRHBP P24387 1/20 0.48

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
SCHEMBL6331924 0.90 KDM4E (0.58) KDM4EHPGDL3MBTL1RAB9AMEN1
SCHEMBL6251489 0.88 RAB9A (0.70) KDM4EHPGDL3MBTL1RAB9AMEN1
SCHEMBL6255206 0.86 RAB9A (0.58) KDM4EHPGDL3MBTL1RAB9AMEN1
SCHEMBL6334020 0.84 KDM4E (0.52) KDM4EHPGDL3MBTL1RAB9AMEN1
SCHEMBL6249299 0.82 PTGER4 (0.75) KDM4EHPGDL3MBTL1RAB9AMEN1
SCHEMBL14196465 0.79 ITGB2 (0.74) KDM4EHPGDL3MBTL1MEN1KMT2A
SCHEMBL6329800 0.78 KDM4E (0.57) KDM4EHPGDL3MBTL1RAB9AMEN1
SCHEMBL14196468 0.78 RAB9A (0.60) KDM4EHPGDL3MBTL1RAB9AMEN1
SCHEMBL12875465 0.77 RAB9A (0.63) KDM4EHPGDL3MBTL1RAB9AMEN1
SCHEMBL6249536 0.77 KDM4E (0.46) KDM4EHPGDL3MBTL1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US claimed
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 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.