SCHEMBL4983469

SCHEMBL4983469

ON=C(Nc1ccc(F)c(Cl)c1)c1nonc1Cn1nnnc1-c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 2/20 0.38
MALT1 Q9UDY8 3/20 0.35
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
KCNJ6 P48051 2/20 0.33
KCNJ5 P48544 2/20 0.33
KCNJ3 P48549 2/20 0.33
RAB9A P51151 1/20 0.33
P2RX7 Q99572 1/20 0.33
GRM4 Q14833 1/20 0.33
MAP3K8 P41279 1/20 0.32

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
SCHEMBL4983463 1.00 HDAC6 (0.39) HDAC6NPC1MALT1MAPTL3MBTL1
SCHEMBL14462399 0.89 HDAC6 (0.39) HDAC6NPC1MALT1MAPTL3MBTL1
SCHEMBL5631227 0.89 SMN1; SMN2 (0.38) HDAC6NPC1MAPTL3MBTL1ALDH1A1
SCHEMBL5631222 0.89 SMN1; SMN2 (0.38) HDAC6NPC1MAPTL3MBTL1ALDH1A1
SCHEMBL4987615 0.85 STAT5B (0.43) MAPTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4987626 0.85 STAT5B (0.43) MAPTL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4983481 0.85 IDO1 (0.50)
SCHEMBL5630817 0.84 MEN1 (0.38) NPC1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL5630814 0.84 MEN1 (0.38) NPC1MAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL5631701 0.83 IDO1 (0.39) NPC1MAPTL3MBTL1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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-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-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
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 HDAC6 245/4885NPC1 3320/4885MALT1 493/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT HDAC6 245/4885NPC1 3320/4885MALT1 493/4885

“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.