SCHEMBL4726652

SCHEMBL4726652

ONC(=Nc1ccc(F)c(Cl)c1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 16/20 0.56
TDO2 P48775 3/20 0.47
HDAC8 Q9BY41 2/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL4729800 0.87 IDO1 (0.55) IDO1TDO2MEN1KMT2A
SCHEMBL4730332 0.79 IDO1 (0.63) IDO1TDO2
SCHEMBL4726649 0.78 NPC1 (0.54) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL4726650 0.78 NPC1 (0.54) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL4727698 0.76 IDO1 (0.57) IDO1TDO2
SCHEMBL4730877 0.75 IDO1 (0.62) IDO1TDO2
SCHEMBL4728381 0.71 IDO1 (0.61) IDO1TDO2
SCHEMBL4726666 0.71 IDO1 (0.60) IDO1TDO2
SCHEMBL14662201 0.71 SOS1 (0.60)
SCHEMBL14214469 0.71 NPC1 (0.54) HDAC8HDAC1HDAC6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US claimed
WO-2008036643-A2 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO claimed
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 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-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT IDO1 1/4885TDO2 10/4885HDAC8 410/4885

“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.