SCHEMBL5631091

SCHEMBL5631091

O/N=C(/Nc1ccc(F)c(Cl)c1)c1nonc1CNCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
POLB P06746 1/20 0.47
KMT2A Q03164 6/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 4/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
MAP3K8 P41279 2/20 0.39
RAB9A P51151 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MALT1 Q9UDY8 1/20 0.37
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4973610 1.00 NPC1 (0.54) NPC1POLBKMT2AMAPTALDH1A1
SCHEMBL14462443 0.91 NPC1 (0.52) NPC1POLBKMT2AMAPTALDH1A1
SCHEMBL15100408 0.88 NPC1 (0.55) NPC1POLBKMT2AMAPTALDH1A1
SCHEMBL4992714 0.86 SMN1; SMN2 (0.47) NPC1POLBKMT2AMAPTALDH1A1
SCHEMBL15096700 0.86 SMN1; SMN2 (0.47) NPC1POLBKMT2AMAPTALDH1A1
SCHEMBL4992727 0.86 SMN1; SMN2 (0.47) NPC1POLBKMT2AMAPTALDH1A1
SCHEMBL5630775 0.85 CYP1A2 (0.40) NPC1KMT2AMAPTALDH1A1MEN1
SCHEMBL5630782 0.85 CYP1A2 (0.40) NPC1KMT2AMAPTALDH1A1MEN1
SCHEMBL4980142 0.83 MAP3K8 (0.40) NPC1KMT2AMAPTALDH1A1MEN1
SCHEMBL4980124 0.83 MAP3K8 (0.40) NPC1KMT2AMAPTALDH1A1MEN1

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 10 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-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US claimed
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-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 NPC1 3320/4885POLB 3697/4885KMT2A 545/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT NPC1 3320/4885POLB 3697/4885KMT2A 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.