SCHEMBL6330203

SCHEMBL6330203

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
MAPT P10636 9/20 0.43
ALDH1A1 P00352 7/20 0.43
LMNA P02545 6/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPK1 P28482 4/20 0.43
TP53 P04637 4/20 0.43
USP2 O75604 1/20 0.43
RECQL P46063 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.42
SIRT5 Q9NXA8 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL14224481 0.81 PDE3B (0.49) PDE3BPDE3AMAPTALDH1A1LMNA
SCHEMBL14196464 0.77 MEN1 (0.57) PDE3BPDE3AMAPTALDH1A1LMNA
SCHEMBL6330205 0.75 MAPT (0.47) PDE3BPDE3AMAPTALDH1A1LMNA
SCHEMBL6332351 0.71 ITGB3 (0.52) MAPTALDH1A1LMNAHSD17B10MAPK1
SCHEMBL28911459 0.69 MAPT (0.55) PDE3BPDE3AMAPTALDH1A1LMNA
SCHEMBL30118314 0.69 MAPT (0.55) PDE3BPDE3AMAPTALDH1A1LMNA
SCHEMBL1198464 0.68 MEN1 (0.79) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL14224475 0.67 MAPT (0.58) PDE3BPDE3AMAPTALDH1A1MAPK1
SCHEMBL1198047 0.67 KDM4E (0.82) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL1198355 0.66 KDM4E (0.60) MAPTALDH1A1HSD17B10MEN1KMT2A

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 PDE3B 1838/4885PDE3A 2471/4885MAPT 4100/4885

“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.