SCHEMBL6252992

SCHEMBL6252992

N#Cc1ccc(N(C=O)c2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
MMP13 P45452 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 2/20 0.45
AR P10275 1/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL6229128 0.87 NPC1 (0.44) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL14409853 0.87 KMT2A (0.50) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6229570 0.80 RAB9A (0.51) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6232784 0.79 RAB9A (0.49) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6253166 0.75 USP30 (0.40) MAPTTP53HPGDTSHRSMN1; SMN2
SCHEMBL23554150 0.74 UCHL1 (0.44) KMT2AMEN1ARKDM4EALDH1A1
SCHEMBL3605142 0.71 CDC25A (0.69) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL27772429 0.70 GAA (0.48) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6253338 0.68 NPC1 (0.44) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6252906 0.68 PTGS2 (0.50) KMT2AMEN1RAB9AMAPTNPC1

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 KMT2A 3796/4885MEN1 4471/4885RAB9A 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.