SCHEMBL4980765

SCHEMBL4980765

NS(=O)(=O)NCc1nonc1C(=Nc1cccc(C(F)(F)F)c1)NO

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.59
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TDO2 P48775 1/20 0.47
IDO2 Q6ZQW0 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL5633489 0.90 IDO1 (0.54) IDO1LMNA
SCHEMBL4983051 0.85 IDO1 (0.53) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL4981162 0.84 IDO1 (0.59) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL147128 0.84 IDO1 (0.68) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL19873091 0.84 IDO1 (0.68) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL147504 0.82 IDO1 (0.63) IDO1CYP3A4CYP2C9TDO2IDO2
Trifluoroacetic Acid SCHEMBL16581962 0.82 IDO1 (0.56) IDO1LMNA
SCHEMBL4980747 0.80 ALDH1A1 (0.46) IDO1LMNA
SCHEMBL4980755 0.80 ALDH1A1 (0.46) IDO1LMNA
SCHEMBL4983001 0.80 IDO1 (0.71) IDO1CYP3A4CYP2C9TDO2IDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US claimed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US claimed
EP-1971583-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation (US) 2008-09-24 EP claimed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US claimed
WO-2007075598-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2007-07-05 WO claimed
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 IDO1 1/4885CYP3A4 476/4885CYP2C9 543/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT IDO1 1/4885CYP3A4 476/4885CYP2C9 543/4885

“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.