SCHEMBL5531048

SCHEMBL5531048

O/N=C(/Nc1cccc(Cl)c1)N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
RECQL P46063 1/20 0.64
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
GRM5 P41594 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45

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
SCHEMBL5531050 1.00 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPSR1RECQL
SCHEMBL5527789 0.87 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1NPSR1RECQL
SCHEMBL5527787 0.87 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1NPSR1RECQL
SCHEMBL5616440 0.81 SMN1; SMN2 (0.60) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5527838 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5530797 0.79 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL5527835 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5530801 0.79 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL11641875 0.78 NPSR1 (1.00) ALDH1A1KMT2AMEN1NPSR1RECQL
SCHEMBL14448352 0.78 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1NPSR1RECQL

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-20070203140-A1 N-hydroxyguanidines as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-30 US claimed
WO-2007095050-A2 N-HYDROXYGUANIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2007-08-23 WO claimed
US-20070203140-A1 N-hydroxyguanidines as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-30 US disclosed
US-20070203140-A1 N-hydroxyguanidines as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-30 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 (1 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-20070203140-A1 N-hydroxyguanidines as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT ALDH1A1 764/4885KMT2A 882/4885MEN1 2842/4885

“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.