SCHEMBL4124173

SCHEMBL4124173

NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(Cc1ccccn1)C3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
HPGD P15428 3/20 0.59
HTT P42858 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
LMNA P02545 2/20 0.58
MAPT P10636 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
EEF2K O00418 6/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
IKBKB O14920 2/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
LIMK1 P53667 1/20 0.42
MEN1 O00255 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
SCHEMBL4118125 0.88 ALDH1A1 (0.63) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL4112110 0.85 ALDH1A1 (0.61) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL4112569 0.84 ALDH1A1 (0.63) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL4106770 0.84 ALDH1A1 (0.65) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL4110452 0.84 ALDH1A1 (0.58) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL4112708 0.83 ALDH1A1 (0.62) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL4124060 0.83 ALDH1A1 (0.61) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL4110410 0.82 ALDH1A1 (0.63) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL4104151 0.82 ALDH1A1 (0.62) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL4127389 0.82 ALDH1A1 (0.57) ALDH1A1HPGDHTTTDP1LMNA

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

“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.