SCHEMBL5629994

SCHEMBL5629994

O=C(O)NCc1nonc1/C(=N\O)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 7/20 0.43
TSHR P16473 1/20 0.43
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
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
SLC2A1 P11166 1/20 0.41
FABP4 P15090 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5630002 1.00 MEN1 (0.44) MEN1KMT2AL3MBTL1SMN1; SMN2TSHR
SCHEMBL5633987 0.91 CYP1A2 (0.44) MEN1KMT2AL3MBTL1SMN1; SMN2TSHR
SCHEMBL4983174 0.91 SMN1; SMN2 (0.45) MEN1KMT2AL3MBTL1SMN1; SMN2TSHR
SCHEMBL4983160 0.91 SMN1; SMN2 (0.45) MEN1KMT2AL3MBTL1SMN1; SMN2TSHR
SCHEMBL5633996 0.91 CYP1A2 (0.44) MEN1KMT2AL3MBTL1SMN1; SMN2TSHR
SCHEMBL5631217 0.89 NPC1 (0.53) MEN1KMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL5630978 0.89 NPC1 (0.54) MEN1KMT2AL3MBTL1SMN1; SMN2CYP1A2
SCHEMBL5630972 0.89 NPC1 (0.54) MEN1KMT2AL3MBTL1SMN1; SMN2CYP1A2
SCHEMBL5631226 0.89 NPC1 (0.53) MEN1KMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL5631414 0.89 SMN1; SMN2 (0.44) MEN1KMT2AL3MBTL1SMN1; SMN2TSHR

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 MEN1 1163/4885KMT2A 545/4885L3MBTL1 4311/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT MEN1 1163/4885KMT2A 545/4885L3MBTL1 4311/4885

“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.