SCHEMBL4730332

SCHEMBL4730332

ONC(=Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 19/20 0.63
ALDH1A1 P00352 1/20 0.53
TDO2 P48775 2/20 0.52

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
SCHEMBL4727698 0.81 IDO1 (0.57) IDO1ALDH1A1TDO2
SCHEMBL4730877 0.80 IDO1 (0.62) IDO1ALDH1A1TDO2
SCHEMBL4726652 0.79 IDO1 (0.56) IDO1TDO2
SCHEMBL2184486 0.78 IDO1 (0.54) IDO1ALDH1A1TDO2
SCHEMBL2191269 0.78 IDO1 (0.57) IDO1TDO2
SCHEMBL4726666 0.76 IDO1 (0.60) IDO1ALDH1A1TDO2
SCHEMBL4728381 0.76 IDO1 (0.61) IDO1ALDH1A1TDO2
SCHEMBL4730330 0.75 NPC1 (0.57) ALDH1A1
SCHEMBL4730328 0.75 NPC1 (0.57) ALDH1A1
SCHEMBL4729800 0.74 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-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
WO-2008036643-A2 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 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-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT IDO1 1/4885ALDH1A1 1647/4885TDO2 10/4885

“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.