SCHEMBL4728327

SCHEMBL4728327

Nc1nccnc1C(=Nc1cccc(C(F)(F)F)c1)NO

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.53
TLR7 Q9NYK1 2/20 0.52
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
LMNA P02545 1/20 0.47
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 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
SCHEMBL146909 0.81 IDO1 (0.78) IDO1LMNAMAPT
SCHEMBL4729200 0.79 IDO1 (0.53) IDO1
SCHEMBL4727684 0.79 GAA (0.51) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4728320 0.75 MAPT (0.54) IDO1TLR7MAPTKDM4E
SCHEMBL4728326 0.75 MAPT (0.54) IDO1TLR7MAPTKDM4E
SCHEMBL4928790 0.73 IDO1 (0.55) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4725777 0.73 IDO1 (0.47) IDO1LMNAMAPTKDM4E
Trifluoroacetic Acid SCHEMBL16581962 0.70 IDO1 (0.56) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL21372683 0.70 IDO1 (0.46) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14214642 0.69 MAPT (0.56) IDO1TLR7MAPTKDM4E

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
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 1/4885TLR7 2234/4885HTR3E 21/4885

“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.