SCHEMBL18302280

SCHEMBL18302280

Nc1noc2cc(C(F)(F)F)ccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.56
▸ HTR3A P46098 1/20 0.44
▸ KIF11 P52732 2/20 0.41
▸ TBK1 Q9UHD2 1/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ AKT1 P31749 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ KDR P35968 1/20 0.38

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
SCHEMBL2634187 0.86 EPHX2 (0.58) EPHX2TBK1NOS3NOS2BACE1
SCHEMBL30410154 0.86 EPHX2 (0.58) EPHX2TBK1NOS3NOS2BACE1
SCHEMBL7070872 0.82 EPHX2 (0.48) EPHX2AKT1BRD4KITKDR
SCHEMBL1690350 0.82 F9 (0.43) EPHX2KIF11KDM4EALDH1A1HPGD
SCHEMBL12646428 0.79 EPHX2 (0.56) EPHX2HTR3AKIF11BRD4
SCHEMBL14039533 0.77 F9 (0.36) EPHX2KDR
SCHEMBL6090589 0.76 F9 (0.36) EPHX2
SCHEMBL2440742 0.76 ACHE (0.41) HTR3AALDH1A1
SCHEMBL15922141 0.75 F9 (0.43) KDM4EALDH1A1HPGDHSD17B10KIT
SCHEMBL18611866 0.75 EPHX2 (0.52) EPHX2HTR3AKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-08-06 — — US disclosed
US-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-08-06 — — US disclosed
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2018-05-17 — — US disclosed
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2018-05-17 — — US disclosed
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2018-05-17 — — US disclosed
EP-3307269-A1 AMINOBENZISOXAZOLE COMPOUNDS AS AGONISTS OF A7-NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (DE) 2018-04-18 — — EP disclosed
WO-2016201096-A1 AMINOBENZISOXAZOLE COMPOUNDS AS AGONISTS OF A7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2016-12-15 — — 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 (2 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-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 EPHX2 375/4885HTR3A 205/4885KIF11 3766/4885
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 EPHX2 303/4885HTR3A 220/4885KIF11 4096/4885

“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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