SCHEMBL4089375

SCHEMBL4089375

CCOc1ccc(/C=C/C=N/NC(N)=S)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
HTT P42858 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.50
MAOA P21397 1/20 0.49

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
SCHEMBL4089378 1.00 POLB (0.61) POLBHTTNPSR1MAPTALDH1A1
SCHEMBL4090237 0.85 MAOA (0.68) POLBHTTNPSR1MAPTALDH1A1
SCHEMBL4090240 0.85 MAOA (0.68) POLBHTTNPSR1MAPTALDH1A1
SCHEMBL4093966 0.80 NPSR1 (0.71) POLBHTTNPSR1MAPTALDH1A1
SCHEMBL4093962 0.80 NPSR1 (0.71) POLBHTTNPSR1MAPTALDH1A1
SCHEMBL4102146 0.78 POLB (0.73) POLBHTTNPSR1MAPTALDH1A1
SCHEMBL4102144 0.78 POLB (0.73) POLBHTTNPSR1MAPTALDH1A1
SCHEMBL4102143 0.78 POLB (0.73) POLBHTTNPSR1MAPTALDH1A1
SCHEMBL4624333 0.77 HTT (0.59) POLBHTTNPSR1MAPTALDH1A1
SCHEMBL4624330 0.77 HTT (0.59) POLBHTTNPSR1MAPTALDH1A1

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.