SCHEMBL6232784

SCHEMBL6232784

Cc1ccc(N(C=O)c2nc(-c3ccccc3)cs2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
MMP13 P45452 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.43
GSTO1 P78417 5/20 0.42
DHODH Q02127 1/20 0.41

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
SCHEMBL14409853 0.85 KMT2A (0.50) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL6229570 0.81 RAB9A (0.51) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL6252992 0.79 KMT2A (0.45) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL8076219 0.76 BRD4 (0.37) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL6253338 0.72 NPC1 (0.44) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL6229128 0.69 NPC1 (0.44) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL6252906 0.69 PTGS2 (0.50) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL9481963 0.69 RAB9A (0.62) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL8378346 0.68 RAB9A (0.54) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL9422086 0.68 NPC1 (0.80) RAB9ANPC1KMT2AMEN1TP53

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 2138/4885NPC1 6/4885KMT2A 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.