SCHEMBL4090237

SCHEMBL4090237

COc1ccc(/C=C/C=N/NC(N)=S)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.68
POLB P06746 1/20 0.66
HTT P42858 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
MAPT P10636 3/20 0.60
EGFR P00533 2/20 0.54
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALOX12 P18054 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL4090240 1.00 MAOA (0.68) MAOAPOLBHTTNPSR1MAPT
SCHEMBL4089375 0.85 POLB (0.61) MAOAPOLBHTTNPSR1MAPT
SCHEMBL4089378 0.85 POLB (0.61) MAOAPOLBHTTNPSR1MAPT
SCHEMBL1435580 0.83 POLB (0.63) MAOAPOLBHTTNPSR1MAPT
SCHEMBL1435584 0.83 POLB (0.63) MAOAPOLBHTTNPSR1MAPT
SCHEMBL1435581 0.83 POLB (0.63) MAOAPOLBHTTNPSR1MAPT
SCHEMBL4093962 0.83 NPSR1 (0.71) MAOAPOLBHTTNPSR1MAPT
SCHEMBL4093966 0.83 NPSR1 (0.71) MAOAPOLBHTTNPSR1MAPT
SCHEMBL23709458 0.82 MAPT (0.63) MAOAPOLBMAPTALDH1A1L3MBTL1
SCHEMBL4102143 0.81 POLB (0.73) MAOAPOLBHTTNPSR1MAPT

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 MAOA 43/4885POLB 4234/4885HTT 7/4885

“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.