SCHEMBL5630972

SCHEMBL5630972

O=C(NCc1nonc1/C(=N\O)Nc1ccc(F)c(Cl)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
FADS1 O60427 1/20 0.40

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
SCHEMBL5630978 1.00 NPC1 (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL5629994 0.89 MEN1 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL5630002 0.89 MEN1 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL5631217 0.89 NPC1 (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL5631226 0.89 NPC1 (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL5630121 0.88 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL5630131 0.88 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL14462659 0.87 NPC1 (0.55) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL14443033 0.87 MAOB (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL14964168 0.87 MAOB (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2

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 NPC1 3320/4885RAB9A 3593/4885SMN1; SMN2 3175/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT NPC1 3320/4885RAB9A 3593/4885SMN1; 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.