SCHEMBL4523937

SCHEMBL4523937

O=C(c1ccc2nccnc2c1)N1CCCC(CO)C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
GRM3 Q14832 3/20 0.52
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
VNN1 O95497 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ECE2 P0DPD6 1/20 0.45
PROKR1 Q8TCW9 3/20 0.44
JAK2 O60674 1/20 0.44
PDK2 Q15119 1/20 0.43

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
SCHEMBL4534518 0.89 HPGD (0.62) HPGDNPC1RAB9APOLBALDH1A1
SCHEMBL4525757 0.87 RAB9A (0.60) HPGDGRM3NPC1RAB9APOLB
SCHEMBL4519586 0.84 HPGD (0.56) HPGDGRM3NPC1RAB9AALDH1A1
SCHEMBL4521372 0.84 HPGD (0.68) HPGDGRM3NPC1RAB9AALDH1A1
SCHEMBL10724293 0.83 GRM3 (0.68) HPGDGRM3NPC1RAB9APOLB
SCHEMBL4522870 0.82 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4560091 0.81 HPGD (0.66) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4530457 0.81 HPGD (0.67) HPGDNPC1RAB9AALDH1A1VNN1
SCHEMBL10723661 0.80 GRM3 (0.56) GRM3NPC1RAB9APOLBSMN1; SMN2
SCHEMBL4527873 0.80 HPGD (0.97) HPGDPOLBALDH1A1ECE2

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 470/4885GRM3 14/4885NPC1 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.