SCHEMBL4116647

SCHEMBL4116647

NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(CCCN1CCN(c2ncccn2)CC1)C3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
HPGD P15428 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 2/20 0.54
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.42
IKBKB O14920 1/20 0.41
EEF2K O00418 4/20 0.41
LIMK1 P53667 1/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 2/20 0.38

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
SCHEMBL4105236 0.89 ALDH1A1 (0.58) ALDH1A1HPGDTDP1HTTLMNA
SCHEMBL4112708 0.87 ALDH1A1 (0.62) ALDH1A1HPGDTDP1HTTLMNA
SCHEMBL4125697 0.84 ALDH1A1 (0.61) ALDH1A1HPGDTDP1HTTLMNA
SCHEMBL4106770 0.84 ALDH1A1 (0.65) ALDH1A1HPGDTDP1HTTLMNA
SCHEMBL4104151 0.82 ALDH1A1 (0.62) ALDH1A1HPGDTDP1HTTLMNA
SCHEMBL4124173 0.81 ALDH1A1 (0.59) ALDH1A1HPGDTDP1HTTLMNA
SCHEMBL4117102 0.81 ALDH1A1 (0.61) ALDH1A1HPGDTDP1HTTLMNA
SCHEMBL4124060 0.81 ALDH1A1 (0.61) ALDH1A1HPGDTDP1HTTLMNA
SCHEMBL13991623 0.79 ALDH1A1 (0.71) ALDH1A1HPGDTDP1HTTLMNA
SCHEMBL4118125 0.79 ALDH1A1 (0.63) ALDH1A1HPGDTDP1HTTLMNA

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 58/4885TDP1 2931/4885
US-20060189643-A1 Novel heterocyclic compounds having anti-HBV activity HCCS, HAVCR2, HMBS ALDH1A1 3227/4885HPGD 58/4885TDP1 2931/4885

“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.