SCHEMBL4727698

SCHEMBL4727698

ONC(=Nc1ccc(F)c(Cl)c1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.57
TDO2 P48775 2/20 0.47
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
MAOB P27338 4/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAOA P21397 1/20 0.44
ACLY P53396 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
SCHEMBL4730332 0.81 IDO1 (0.63) IDO1TDO2ALDH1A1
SCHEMBL4730877 0.80 IDO1 (0.62) IDO1TDO2NPC1RAB9ASMN1; SMN2
SCHEMBL4727694 0.80 MEN1 (0.48) RXRARXRBRXRGMAOBNPC1
SCHEMBL4727691 0.80 MEN1 (0.48) RXRARXRBRXRGMAOBNPC1
SCHEMBL14214458 0.77 MEN1 (0.46) RXRARXRBRXRGMAOBNPC1
SCHEMBL4726652 0.76 IDO1 (0.56) IDO1TDO2
SCHEMBL4980156 0.76 IDO1 (0.61) IDO1TDO2
SCHEMBL2387082 0.75 MAOB (0.56) MAOBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5631396 0.72 IDO1 (0.62) IDO1TDO2
SCHEMBL4729800 0.72 IDO1 (0.55) IDO1TDO2NPC1RAB9ASMN1; SMN2

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 2 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

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 10/4885RXRA 3793/4885

“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.