SCHEMBL1312995

SCHEMBL1312995

CC(C)CC(C(N)=O)n1nnc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
APAF1 O14727 1/20 0.47
FAAH O00519 1/20 0.43
CA2 P00918 2/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MGAM O43451 3/20 0.40
AMY1A P0DUB6 3/20 0.40
GAA P10253 3/20 0.40
SI P14410 3/20 0.40
MGAM2 Q2M2H8 3/20 0.40
RAB9A P51151 2/20 0.40
SLC9A1 P19634 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL1311735 0.86 POLB (0.46) POLBAPAF1HSD17B10EGLN3MAPT
SCHEMBL1312900 0.86 POLB (0.46) POLBAPAF1HSD17B10EGLN3MAPT
SCHEMBL1312663 0.86 POLB (0.46) POLBAPAF1HSD17B10EGLN3MAPT
SCHEMBL4865115 0.83 MAPT (0.45) POLBAPAF1EGLN3MAPTKDM4E
SCHEMBL2069140 0.81 HSD17B10 (0.50) POLBAPAF1FAAHHSD17B10EGLN3
SCHEMBL1312426 0.78 POLB (0.47) POLBAPAF1FAAHHSD17B10EGLN3
SCHEMBL1311993 0.78 POLB (0.47) POLBAPAF1FAAHHSD17B10EGLN3
SCHEMBL22162855 0.73 SLC9A1 (0.45) POLBAPAF1HSD17B10EGLN3MGAM
SCHEMBL5790948 0.73 POLB (0.57) POLBAPAF1HSD17B10EGLN3KDM4E
SCHEMBL7380423 0.72 POLB (0.43) POLBAPAF1EGLN3MAPTKDM4E

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-2387568-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NeuroSearch A/S (DK) 2011-11-23 EP claimed
US-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2011-11-10 US claimed
US-8040036-B2 Organic light emitting device and method for manufacturing the same LG CHEM, LTD. (KR) 2011-10-18 US claimed
WO-2010081898-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-07-22 WO claimed
EP-2387568-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NeuroSearch A/S (DK) 2011-11-23 EP disclosed
US-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2011-11-10 US disclosed
US-8040036-B2 Organic light emitting device and method for manufacturing the same LG CHEM, LTD. (KR) 2011-10-18 US disclosed
WO-2010081898-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2010-07-22 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-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS GABBR1, ABAT, GABBR2 POLB 3467/4885APAF1 3265/4885FAAH 274/4885

“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.