SCHEMBL4980124

SCHEMBL4980124

O/N=C(/Nc1ccc(F)c(Cl)c1)c1nonc1CNCc1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 1/20 0.40
NPC1 O15118 2/20 0.38
KMT2A Q03164 5/20 0.36
IDO1 P14902 3/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TDO2 P48775 1/20 0.35
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
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL16588212 1.00 MAP3K8 (0.40) MAP3K8NPC1KMT2AIDO1MEN1
SCHEMBL4980142 1.00 MAP3K8 (0.40) MAP3K8NPC1KMT2AIDO1MEN1
Trifluoroacetic Acid SCHEMBL5631437 0.94 NPC1 (0.38) MAP3K8NPC1KMT2AMEN1MAPT
Trifluoroacetic Acid SCHEMBL5631421 0.94 NPC1 (0.38) MAP3K8NPC1KMT2AMEN1MAPT
SCHEMBL14461863 0.88 MAP3K8 (0.40) MAP3K8NPC1KMT2AIDO1MEN1
SCHEMBL5631424 0.86 NPC1 (0.38) MAP3K8NPC1KMT2AIDO1MEN1
SCHEMBL4973610 0.83 NPC1 (0.54) MAP3K8NPC1KMT2AIDO1MEN1
SCHEMBL5631091 0.83 NPC1 (0.54) MAP3K8NPC1KMT2AIDO1MEN1
SCHEMBL4992727 0.82 SMN1; SMN2 (0.47) NPC1KMT2AIDO1MEN1MAPT
SCHEMBL4992714 0.82 SMN1; SMN2 (0.47) NPC1KMT2AIDO1MEN1MAPT

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 8 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
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
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 MAP3K8 2563/4885NPC1 3320/4885KMT2A 545/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT MAP3K8 2563/4885NPC1 3320/4885KMT2A 545/4885

“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.