SCHEMBL4111884

SCHEMBL4111884

NC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)C(=O)CCC3

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.75
NPSR1 Q6W5P4 1/20 0.75
EEF2K O00418 8/20 0.74
HTT P42858 4/20 0.62
GAA P10253 2/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
RAB9A P51151 1/20 0.62
LMNA P02545 2/20 0.62
PLA2G1B P04054 1/20 0.62
ATG4B Q9Y4P1 1/20 0.62
BRAF P15056 1/20 0.59
IKBKB O14920 1/20 0.53
LIMK1 P53667 1/20 0.53
MAPT P10636 4/20 0.53
USP2 O75604 1/20 0.53
PTK2B Q14289 1/20 0.53

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
SCHEMBL430666 0.86 ALDH1A1 (1.00) ALDH1A1NPSR1EEF2KHTTGAA
SCHEMBL4105366 0.81 ALDH1A1 (0.74) ALDH1A1NPSR1EEF2KHTTGAA
SCHEMBL4123645 0.79 EEF2K (0.75) ALDH1A1NPSR1EEF2KHTTGAA
SCHEMBL19769221 0.77 ALDH1A1 (1.00) ALDH1A1NPSR1EEF2KHTTGAA
SCHEMBL431177 0.75 ALDH1A1 (0.96) ALDH1A1NPSR1EEF2KHTTGAA
SCHEMBL1776085 0.74 BRAF (1.00) ALDH1A1NPSR1EEF2KHTTGAA
SCHEMBL10134626 0.74 ALDH1A1 (0.94) ALDH1A1NPSR1EEF2KHTTGAA
SCHEMBL19769236 0.73 ALDH1A1 (0.77) ALDH1A1NPSR1EEF2KHTTGAA
SCHEMBL4907028 0.72 BRAF (0.76) ALDH1A1NPSR1EEF2KHTTKDM4E
SCHEMBL4204752 0.71 IKBKB (0.78) ALDH1A1NPSR1EEF2KKDM4EBRAF

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 3227/4885NPSR1 4354/4885EEF2K 2523/4885
US-20060189643-A1 Novel heterocyclic compounds having anti-HBV activity HCCS, HAVCR2, HMBS ALDH1A1 3227/4885NPSR1 4354/4885EEF2K 2523/4885

“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.