SCHEMBL4083844

SCHEMBL4083844

CCCCCC=CC=NNC(N)=S

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 3/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SOAT1 P35610 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
FASN P49327 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL4090430 0.98 FAAH (0.43) POLBHTTNPSR1FAAHMEN1
SCHEMBL4090426 0.98 FAAH (0.43) POLBHTTNPSR1FAAHMEN1
SCHEMBL4091764 0.95 POLB (0.42) POLBHTTNPSR1
SCHEMBL4091763 0.95 POLB (0.42) POLBHTTNPSR1
SCHEMBL4099690 0.87 POLB (0.45) POLBHTTNPSR1MEN1KMT2A
SCHEMBL4099687 0.87 POLB (0.45) POLBHTTNPSR1MEN1KMT2A
SCHEMBL17666971 0.74 MAOA (0.45) NPSR1ALDH1A1
SCHEMBL17666970 0.74 MAOA (0.45) NPSR1ALDH1A1
SCHEMBL4094493 0.71
SCHEMBL17666902 0.70

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 US claimed
EP-1898908-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT Trophos (FR) 2008-03-19 EP claimed
WO-2007003767-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS (FR) 2007-01-11 WO claimed
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 US disclosed
EP-1898908-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT Trophos (FR) 2008-03-19 EP disclosed
WO-2007003767-A2 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS (FR) 2007-01-11 WO 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-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE NLN, NQO1, APP POLB 4234/4885HTT 7/4885NPSR1 696/4885

“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.