SCHEMBL18508550

SCHEMBL18508550

CCOc1c(Cl)ccc(/C=N/O)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.49
TSHR P16473 3/20 0.49
ALDH1A1 P00352 5/20 0.48
TLR4 O00206 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL18502973 1.00 HPGD (0.49) HPGDTSHRALDH1A1TLR4CYP1A2
SCHEMBL18508561 0.83 KDM4E (0.44) HPGDTSHRALDH1A1CYP1A2CYP3A4
SCHEMBL18502965 0.83 KDM4E (0.44) HPGDTSHRALDH1A1CYP1A2CYP3A4
SCHEMBL18489109 0.80 ALDH1A1 (0.38) HPGDALDH1A1TLR4CYP1A2CYP3A4
SCHEMBL18502977 0.79 L3MBTL1 (0.36) HPGDTSHRALDH1A1KMT2AMAPT
SCHEMBL18508480 0.79 L3MBTL1 (0.36) HPGDTSHRALDH1A1KMT2AMAPT
SCHEMBL18508494 0.75 L3MBTL1 (0.37) HPGDTSHRALDH1A1CYP1A2CYP3A4
SCHEMBL18502957 0.75 L3MBTL1 (0.37) HPGDTSHRALDH1A1CYP1A2CYP3A4
SCHEMBL1671613 0.74 SMN1; SMN2 (0.50) HPGDTSHRALDH1A1CYP1A2CYP2C19
SCHEMBL12236675 0.74 SMN1; SMN2 (0.50) HPGDTSHRALDH1A1CYP1A2CYP2C19

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 HPGD 2804/4885TSHR 1585/4885ALDH1A1 2925/4885
US-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 HPGD 1919/4885TSHR 779/4885ALDH1A1 2556/4885
US-10428062-B2 Geminal substituted aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 HPGD 2803/4885TSHR 1298/4885ALDH1A1 2882/4885
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 HPGD 1289/4885TSHR 808/4885ALDH1A1 2821/4885

“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.