SCHEMBL6330205

SCHEMBL6330205

COc1cccc(-c2csc(-n3ncc(C(C)CC(N)=O)c3C)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
ALDH1A1 P00352 10/20 0.47
LMNA P02545 8/20 0.47
MAPK1 P28482 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TP53 P04637 3/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
HTT P42858 5/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PTGER4 P35408 1/20 0.43

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
SCHEMBL14196464 0.79 MEN1 (0.57) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL14224481 0.76 PDE3B (0.49) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL6330203 0.75 PDE3B (0.44) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL6332351 0.72 ITGB3 (0.52) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL6339893 0.71 RAB9A (0.48) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL1198047 0.71 KDM4E (0.82) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL1198464 0.70 MEN1 (0.79) MAPTALDH1A1HSD17B10KMT2AMEN1
SCHEMBL28911459 0.69 MAPT (0.55) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL30118314 0.69 MAPT (0.55) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL12875590 0.69 PTGER4 (0.53) MAPTALDH1A1LMNAHSD17B10KMT2A

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 MAPT 4100/4885ALDH1A1 399/4885LMNA 1603/4885

“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.