SCHEMBL18508604

SCHEMBL18508604

O/N=C/c1ccc(Cl)c(C(F)(F)F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.38
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRNB2 P17787 1/20 0.33
CYP2B6 P20813 1/20 0.33
MAOA P21397 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
NPFFR1 Q9GZQ6 2/20 0.32
NPFFR2 Q9Y5X5 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL18502976 1.00 NOTUM (0.38) NOTUML3MBTL1KDM4EKMT2ACYP1A2
SCHEMBL18502957 0.80 L3MBTL1 (0.37) L3MBTL1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL18508494 0.80 L3MBTL1 (0.37) L3MBTL1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL30683502 0.78 L3MBTL1 (0.36) L3MBTL1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL18508599 0.78 L3MBTL1 (0.36) L3MBTL1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL18302417 0.78 L3MBTL1 (0.36) L3MBTL1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL18502961 0.78 L3MBTL1 (0.36) L3MBTL1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL18506402 0.78 HPGD (0.36) NOTUML3MBTL1KDM4EKMT2AHPGD
SCHEMBL18302341 0.77 NOTUM (0.41) NOTUMKMT2ACYP1A2CYP2C9CHRNB2
SCHEMBL3089434 0.76 NOTUM (0.38) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428062-B2 Geminal substituted aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-10-01 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-20170044155-A1 Geminal Substituted Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors AXOVANT SCIENCES GMBH (CH) 2017-02-16 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 (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-20170044155-A1 Geminal Substituted Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA6 NOTUM 1566/4885L3MBTL1 3087/4885KDM4E 3493/4885
US-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 NOTUM 1728/4885L3MBTL1 3046/4885KDM4E 2804/4885
US-10428062-B2 Geminal substituted aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 NOTUM 1564/4885L3MBTL1 3332/4885KDM4E 2708/4885
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 NOTUM 2114/4885L3MBTL1 3492/4885KDM4E 3741/4885

“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.