SCHEMBL5630734

SCHEMBL5630734

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 8/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.34
IDO1 P14902 2/20 0.33
MAPT P10636 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL5630739 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5630746 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5631705 0.90 IDO1 (0.41) IDO1
SCHEMBL5631715 0.90 IDO1 (0.41) IDO1
SCHEMBL5631696 0.90 IDO1 (0.41) IDO1
SCHEMBL5633294 0.86 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5630120 0.86 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14442993 0.86 IDO1 (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5630660 0.86 MEN1 (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5630673 0.86 MEN1 (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 4 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
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

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.