SCHEMBL4726666

SCHEMBL4726666

ONC(=Nc1ccc(F)c(Cl)c1)c1ccsc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 18/20 0.60
TDO2 P48775 2/20 0.55
ALDH1A1 P00352 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43

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
SCHEMBL4783326 0.76 IDO1 (0.65) IDO1TDO2ITGB3ITGAV
SCHEMBL4726662 0.76 KMT2A (0.51) ALDH1A1
SCHEMBL4726664 0.76 KMT2A (0.51) ALDH1A1
SCHEMBL4727537 0.76 IDO1 (0.67) IDO1TDO2ITGB3ITGAV
SCHEMBL4730332 0.76 IDO1 (0.63) IDO1TDO2ALDH1A1
SCHEMBL4728381 0.76 IDO1 (0.61) IDO1TDO2ALDH1A1ITGB3ITGAV
SCHEMBL4730877 0.75 IDO1 (0.62) IDO1TDO2ALDH1A1
SCHEMBL4782713 0.74 IDO1 (0.62) IDO1TDO2ITGB3ITGAV
SCHEMBL2191631 0.72 IDO1 (0.59) IDO1TDO2ITGB3ITGAV
SCHEMBL4729800 0.72 IDO1 (0.55) IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 US claimed
WO-2008036652-A2 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO claimed
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 US disclosed
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 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-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT IDO1 1/4885TDO2 6/4885ALDH1A1 2238/4885

“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.