SCHEMBL5633253

SCHEMBL5633253

NCc1nonc1C(=NOC(=O)C(F)(F)F)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FABP4 P15090 1/20 0.39
SLC2A1 P11166 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL5630468 0.89 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4982971 0.88 IDO1 (0.43) IDO1
SCHEMBL5630911 0.87 IDO1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5633210 0.87 SMN1; SMN2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15093591 0.86 MEN1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5633245 0.85 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5633258 0.85 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5632797 0.84 IDO1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4980601 0.84 HTT (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5632064 0.84 MEN1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP disclosed
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US disclosed
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US disclosed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US disclosed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 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 (2 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-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT CYP1A2 202/4885CYP3A4 476/4885CYP2D6 185/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT CYP1A2 202/4885CYP3A4 476/4885CYP2D6 185/4885

“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.