SCHEMBL391671

SCHEMBL391671

Sc1nnc(-c2ccc3c(c2)OCO3)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.65
▸ RAB9A P51151 9/20 0.65
▸ KDM4E B2RXH2 8/20 0.65
▸ SMN1; SMN2 Q16637 7/20 0.65
▸ MAPT P10636 7/20 0.65
▸ ALDH1A1 P00352 5/20 0.65
▸ POLB P06746 4/20 0.58
▸ TP53 P04637 4/20 0.58
▸ HSD17B10 Q99714 4/20 0.58
▸ TSHR P16473 3/20 0.58
▸ GAA P10253 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ PKM P14618 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57

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
SCHEMBL31040512 1.00 NPC1 (0.65) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL3492339 0.88 NPC1 (0.81) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL30622710 0.80 NPC1 (0.65) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL24653524 0.80 NPC1 (0.65) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL1395948 0.76 GSK3B (0.55) NPC1RAB9AKDM4EMAPTGSK3B
SCHEMBL10225785 0.76 NPC1 (0.60) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL17055725 0.76 KDM4E (0.60) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL12419565 0.75 NPC1 (0.67) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL13435542 0.75 NPC1 (0.62) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL1423037 0.74 NPC1 (0.61) NPC1RAB9AKDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344307-A Compound combined with alpha-synuclein and preparation method and application thereof 江苏省原子医学研究所 2024-07-16 — — CN disclosed
WO-2013007663-A1 2-BENZYLSULFANYL[1,3,4]-OXADIAZOLE DERIVATIVES, AND MEDICAL USE THEREOF Technische Universität Darmstadt (DE) 2013-01-17 — — WO disclosed
US-20120071469-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2012-03-22 — — US disclosed
US-8106042-B2 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives useful as modulator of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-01-31 — — US disclosed
US-8101598-B2 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives and their medical use NEUROSEARCH A/S (DK) 2012-01-24 — — US disclosed
US-20110105478-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS MODULATOR OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 — — US disclosed
US-20100317654-A1 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE ANIONA APS (DK) 2010-12-16 — — US disclosed
EP-2257550-A1 NOVEL 1,4-DIAZA-BICYCLOÝ3.2.2¨NONYL OXADIAZOLYL DERIVATIVES USEFUL AS MODULATOR OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch A/S (DK) 2010-12-08 — — EP disclosed
WO-2010130768-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-11-18 — — WO disclosed
US-7807667-B2 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl derivatives and their medical use NEUROSEARCH A/S (DK) 2010-10-05 — — US disclosed
EP-2032575-B1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVE AND ITS MEDICAL USE NEUROSEARCH AS (DK) 2010-04-07 — — EP disclosed
WO-2009112460-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS MODULATOR OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-09-17 — — WO disclosed
US-20090118266-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE CANADIAN IMPERIAL BANK OF COMMERCE AS AGENT 2009-05-07 — — US disclosed
EP-2032575-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-03-11 — — EP disclosed
WO-2007138038-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-12-06 — — 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 (4 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-20110105478-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES USEFUL AS MODULATOR OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNA2, CHRNA4 NPC1 2278/4885RAB9A 3627/4885KDM4E 2420/4885
US-20090118266-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA2, CHRNA5 NPC1 2116/4885RAB9A 3467/4885KDM4E 2451/4885
US-20120071469-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA10, CHRNA3, CHRNA6 NPC1 748/4885RAB9A 2958/4885KDM4E 2599/4885
US-20100317654-A1 1,4-DIAZA-BICYCLO[3.2.2]NONYL OXADIAZOLYL DERIVATIVES AND THEIR MEDICAL USE CHRNA3, CHRNA2, CHRNA6 NPC1 2198/4885RAB9A 3396/4885KDM4E 2785/4885

“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.

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