SCHEMBL4521372

SCHEMBL4521372

O=C(c1ccc2nccnc2c1)N1CCCC(O)C1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.68
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
VNN1 O95497 1/20 0.49
GRM3 Q14832 1/20 0.49
PROKR1 Q8TCW9 4/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NAMPT P43490 2/20 0.47
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL4522870 0.86 HPGD (0.67) HPGDALDH1A1NPC1RAB9APROKR1
Hydrochloric Acid SCHEMBL4560091 0.85 HPGD (0.66) HPGDALDH1A1NPC1RAB9APROKR1
SCHEMBL4530457 0.84 HPGD (0.67) HPGDALDH1A1NPC1RAB9AVNN1
SCHEMBL4523937 0.84 HPGD (0.64) HPGDALDH1A1NPC1RAB9AVNN1
SCHEMBL4527873 0.83 HPGD (0.97) HPGDALDH1A1GRIA3GRIA4
SCHEMBL4520705 0.83 HPGD (0.62) HPGDALDH1A1NPC1RAB9AVNN1
SCHEMBL4534518 0.83 HPGD (0.62) HPGDALDH1A1NPC1RAB9APROKR1
SCHEMBL4525058 0.82 HPGD (1.00) HPGDALDH1A1GRIA3GRIA4
Cx516 SCHEMBL194605 0.82 HPGD (1.00) HPGDALDH1A1GRIA3GRIA4
Cx516 SCHEMBL31660971 0.82 HPGD (1.00) HPGDALDH1A1GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286797-A1 Novel Quinoxaline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-19 US claimed
EP-1960373-A2 NOVEL QUINOXALINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-08-27 EP claimed
WO-2007060144-A2 NOVEL QUINOXALINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-05-31 WO claimed
US-20090286797-A1 Novel Quinoxaline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-19 US disclosed
EP-1960373-A2 NOVEL QUINOXALINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-08-27 EP disclosed
WO-2007060144-A2 NOVEL QUINOXALINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-05-31 WO 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-20090286797-A1 Novel Quinoxaline Derivatives and Their Medical Use GRM2, GRIK5, GRIN2A HPGD 470/4885ALDH1A1 2077/4885NPC1 2530/4885

“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.