SCHEMBL1312426

SCHEMBL1312426

CC(C)C(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
HSD17B10 Q99714 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SLC9A1 P19634 2/20 0.42
CYP1A2 P05177 2/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
KEAP1 Q14145 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
THPO P40225 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
HPGD P15428 2/20 0.42
MGAM O43451 2/20 0.42
AMY1A P0DUB6 2/20 0.42
GAA P10253 2/20 0.42
SI P14410 2/20 0.42

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
SCHEMBL1311993 1.00 POLB (0.47) POLBAPAF1HSD17B10MAPTALDH1A1
SCHEMBL2069140 0.84 HSD17B10 (0.50) POLBAPAF1HSD17B10MAPTALDH1A1
SCHEMBL1312995 0.78 POLB (0.47) POLBAPAF1HSD17B10MAPTALDH1A1
SCHEMBL1311735 0.78 POLB (0.46) POLBAPAF1HSD17B10MAPTALDH1A1
SCHEMBL1312663 0.78 POLB (0.46) POLBAPAF1HSD17B10MAPTALDH1A1
SCHEMBL1312900 0.78 POLB (0.46) POLBAPAF1HSD17B10MAPTALDH1A1
SCHEMBL5790948 0.76 POLB (0.57) POLBAPAF1HSD17B10ALDH1A1SLC9A1
SCHEMBL16488274 0.76 SLC9A1 (0.48) POLBAPAF1HSD17B10MAPTALDH1A1
SCHEMBL4221863 0.76 SLC9A1 (0.48) POLBAPAF1HSD17B10MAPTALDH1A1
SCHEMBL24422508 0.75 SLC9A1 (0.52) POLBAPAF1HSD17B10MAPTALDH1A1

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 5 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
US-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS NEUROSEARCH A/S (DK) 2011-11-10 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-20110275684-A1 NOVEL BENZOTRIAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS GABBR1, ABAT, GABBR2 POLB 3467/4885APAF1 3265/4885HSD17B10 598/4885

“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.