SCHEMBL4106730

SCHEMBL4106730

NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCNC3

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
HTT P42858 4/20 0.74
HPGD P15428 3/20 0.74
TDP1 Q9NUW8 2/20 0.74
LMNA P02545 2/20 0.73
NPSR1 Q6W5P4 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
KDM4E B2RXH2 2/20 0.59
GAA P10253 2/20 0.59
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
EEF2K O00418 8/20 0.51
IKBKB O14920 1/20 0.51
MAPT P10636 3/20 0.51
USP2 O75604 1/20 0.49
PTK2B Q14289 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LIMK1 P53667 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL4115555 0.92 ALDH1A1 (0.63) ALDH1A1HTTHPGDTDP1LMNA
SCHEMBL5958465 0.92 ALDH1A1 (0.74) ALDH1A1HTTHPGDTDP1LMNA
Hydrochloric Acid SCHEMBL4104360 0.91 ALDH1A1 (0.72) ALDH1A1HTTHPGDTDP1LMNA
SCHEMBL429207 0.85 ALDH1A1 (1.00) ALDH1A1HTTHPGDTDP1LMNA
SCHEMBL13941637 0.85 ALDH1A1 (0.96) ALDH1A1HTTHPGDTDP1LMNA
SCHEMBL4105332 0.83 ALDH1A1 (0.61) ALDH1A1HTTHPGDTDP1LMNA
SCHEMBL4117084 0.80 ALDH1A1 (0.72) ALDH1A1HTTHPGDTDP1LMNA
SCHEMBL13941660 0.80 ALDH1A1 (0.72) ALDH1A1HTTHPGDTDP1LMNA
SCHEMBL13991623 0.80 ALDH1A1 (0.71) ALDH1A1HTTHPGDTDP1LMNA
SCHEMBL4117723 0.78 ALDH1A1 (0.72) ALDH1A1HTTHPGDTDP1LMNA

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 3227/4885HTT 4371/4885HPGD 58/4885
US-20060189643-A1 Novel heterocyclic compounds having anti-HBV activity HCCS, HAVCR2, HMBS ALDH1A1 3227/4885HTT 4371/4885HPGD 58/4885

“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.