SCHEMBL3617536

SCHEMBL3617536

Fc1ncccc1-c1nnc(-c2ccoc2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.40
RAB9A P51151 9/20 0.40
ATR Q13535 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.38
TP53 P04637 3/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
PPARA Q07869 1/20 0.37
HPGD P15428 3/20 0.36
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDR P35968 1/20 0.36
CYP11B2 P19099 1/20 0.36
LCLAT1 Q6UWP7 1/20 0.35

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
SCHEMBL3606828 0.78 RAB9A (0.60) NPC1RAB9ARXFP1POLBTP53
SCHEMBL3617914 0.77 NOTUM (0.49) NPC1RAB9AATRRXFP1TP53
SCHEMBL3616136 0.75 CYP11B2 (0.47) NPC1RAB9ARXFP1TP53GAA
SCHEMBL26766178 0.73 BRD4 (0.47) NPC1RAB9ARXFP1TP53ALDH1A1
SCHEMBL26778384 0.73 L3MBTL1 (0.46) NPC1RAB9AALDH1A1KDM4EATAD2
SCHEMBL3614655 0.72 NOTUM (0.51) NPC1RAB9AATRALDH1A1HPGD
SCHEMBL3605924 0.72 PPARA (0.61) NPC1RAB9APOLBTP53GAA
SCHEMBL11613856 0.71 POLB (0.47) NPC1RAB9AATRPOLBGAA
SCHEMBL30949628 0.70 NPC1 (0.45) NPC1RAB9AATRRXFP1POLB
SCHEMBL3613471 0.69 RAB9A (0.36) NPC1RAB9ARXFP1POLBTP53

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-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US claimed
EP-2079734-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch A/S (DK) 2009-07-22 EP claimed
WO-2008049864-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2008-05-02 WO claimed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
EP-2079734-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch A/S (DK) 2009-07-22 EP disclosed
WO-2008049864-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2008-05-02 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-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 NPC1 4031/4885RAB9A 3855/4885ATR 569/4885

“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.