SCHEMBL5630693

SCHEMBL5630693

O=C(NCc1nonc1/C(=N/OC(=O)C(F)(F)F)Nc1ccc(F)c(Cl)c1)c1cn[nH]c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL4986661 1.00 RORC (0.39) RORCMAOBSMN1; SMN2CYP1A2CYP3A4
SCHEMBL14443033 0.89 MAOB (0.40) RORCMAOBSMN1; SMN2CYP1A2CYP3A4
SCHEMBL14964168 0.89 MAOB (0.40) RORCMAOBSMN1; SMN2CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL4986663 0.89 RORC (0.39) RORCMAOBSMN1; SMN2CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL5630689 0.89 RORC (0.39) RORCMAOBSMN1; SMN2CYP1A2CYP3A4
SCHEMBL5630468 0.86 CYP1A2 (0.41) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4981948 0.85 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4981946 0.85 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14462381 0.85 MAOB (0.41) RORCMAOBSMN1; SMN2CYP1A2CYP3A4
SCHEMBL4979053 0.84 RORC (0.41) RORCSMN1; SMN2CYP1A2CYP3A4CYP2D6

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
EP-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP claimed
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US claimed
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US claimed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US claimed
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 RORC 1427/4885MAOB 30/4885SMN1; SMN2 3175/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT RORC 1427/4885MAOB 30/4885SMN1; SMN2 3175/4885

“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.