SCHEMBL4112923

SCHEMBL4112923

CC(C)CCN1Cc2nc3sc(C(=O)O)c(N)c3c(-c3cccs3)c2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
NPSR1 Q6W5P4 5/20 0.58
ALDH1A1 P00352 10/20 0.52
HPGD P15428 6/20 0.52
TDP1 Q9NUW8 2/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 5/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 7/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 5/20 0.46
IKBKB O14920 1/20 0.39
HIF1A Q16665 1/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL4117102 0.93 ALDH1A1 (0.61) MAPTNPSR1ALDH1A1HPGDTDP1
SCHEMBL4110198 0.85 MAPT (0.54) MAPTNPSR1ALDH1A1HPGDTDP1
SCHEMBL4112569 0.84 ALDH1A1 (0.63) MAPTNPSR1ALDH1A1HPGDTDP1
SCHEMBL4106770 0.82 ALDH1A1 (0.65) MAPTNPSR1ALDH1A1HPGDTDP1
SCHEMBL4104151 0.81 ALDH1A1 (0.62) MAPTNPSR1ALDH1A1HPGDTDP1
SCHEMBL14955157 0.81 MAPT (0.79) MAPTNPSR1ALDH1A1HPGDTDP1
SCHEMBL4124060 0.81 ALDH1A1 (0.61) MAPTNPSR1ALDH1A1HPGDTDP1
SCHEMBL4125697 0.81 ALDH1A1 (0.61) MAPTNPSR1ALDH1A1HPGDTDP1
SCHEMBL4112553 0.80 ALDH1A1 (0.49) MAPTNPSR1ALDH1A1HPGDTDP1
SCHEMBL4112118 0.80 ALDH1A1 (0.60) MAPTNPSR1ALDH1A1HPGDTDP1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MAPT 4567/4885NPSR1 4354/4885ALDH1A1 3227/4885

“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.