SCHEMBL4106262

SCHEMBL4106262

NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCC3CC(=O)NC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
HPGD P15428 3/20 0.58
LMNA P02545 2/20 0.58
TDP1 Q9NUW8 2/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
IKBKB O14920 1/20 0.42
EEF2K O00418 10/20 0.41
LIMK1 P53667 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL4110163 0.98 ALDH1A1 (0.57) ALDH1A1HPGDLMNATDP1HTT
SCHEMBL4118088 0.89 ALDH1A1 (0.58) ALDH1A1HPGDLMNATDP1HTT
SCHEMBL4110216 0.87 ALDH1A1 (0.47) ALDH1A1HPGDLMNATDP1HTT
SCHEMBL4105681 0.86 ALDH1A1 (0.61) ALDH1A1HPGDLMNATDP1HTT
SCHEMBL4111897 0.85 ALDH1A1 (0.58) ALDH1A1HPGDLMNATDP1HTT
SCHEMBL4105024 0.85 ALDH1A1 (0.58) ALDH1A1HPGDLMNATDP1HTT
SCHEMBL4120899 0.83 ALDH1A1 (0.52) ALDH1A1HPGDLMNATDP1HTT
SCHEMBL4105359 0.83 ALDH1A1 (0.51) ALDH1A1HPGDLMNATDP1HTT
SCHEMBL4115549 0.83 ALDH1A1 (0.51) ALDH1A1HPGDLMNATDP1HTT
SCHEMBL4118393 0.82 ALDH1A1 (0.68) ALDH1A1HPGDLMNATDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029983-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTI-HBV ACTIVITY VALEANT RESEARCH & DEVELOPMENT (US) 2009-01-29 US disclosed
US-20090029983-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTI-HBV ACTIVITY VALEANT RESEARCH & DEVELOPMENT (US) 2009-01-29 US disclosed
US-20090029983-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTI-HBV ACTIVITY VALEANT RESEARCH & DEVELOPMENT (US) 2009-01-29 US disclosed
US-7465742-B2 Heterocyclic compounds having anti-HBV activity VRX HOLDCO LLC 2008-12-16 US disclosed
US-7465742-B2 Heterocyclic compounds having anti-HBV activity VRX HOLDCO LLC 2008-12-16 US disclosed
US-7465742-B2 Heterocyclic compounds having anti-HBV activity VRX HOLDCO LLC 2008-12-16 US disclosed
US-20060189643-A1 Novel heterocyclic compounds having anti-HBV activity BAUSCH+LOMB OPS B.V. (NL) 2006-08-24 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 (2 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-20090029983-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTI-HBV ACTIVITY HCCS, HAVCR2, HMBS ALDH1A1 3227/4885HPGD 58/4885LMNA 1552/4885
US-20060189643-A1 Novel heterocyclic compounds having anti-HBV activity HCCS, HAVCR2, HMBS ALDH1A1 3227/4885HPGD 58/4885LMNA 1552/4885

“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.