SCHEMBL18502969

SCHEMBL18502969

COc1ccc(/C(Cl)=N\O)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 13/20 0.50
GAA P10253 2/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
APP P05067 1/20 0.40
SNCA P37840 1/20 0.40

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
SCHEMBL18489241 1.00 CPS1 (0.50) CPS1GAAMEN1KMT2ALMNA
SCHEMBL18489238 1.00 CPS1 (0.50) CPS1GAAMEN1KMT2ALMNA
SCHEMBL29454594 0.86 GAA (0.42) CPS1GAAMEN1KMT2ALMNA
SCHEMBL18490116 0.86 GAA (0.42) CPS1GAAMEN1KMT2ALMNA
SCHEMBL18490118 0.86 GAA (0.42) CPS1GAAMEN1KMT2ALMNA
SCHEMBL22724664 0.86 GAA (0.42) CPS1GAAMEN1KMT2ALMNA
SCHEMBL20136409 0.82 ALDH1A1 (0.46) CPS1KMT2AALDH1A1
SCHEMBL18302342 0.82 CPS1 (0.43) CPS1MAPTNPC1RAB9A
SCHEMBL20136407 0.82 ALDH1A1 (0.46) CPS1KMT2AALDH1A1
SCHEMBL18302344 0.82 CPS1 (0.43) CPS1MAPTNPC1RAB9A

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 3 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-20170044155-A1 Geminal Substituted Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors AXOVANT SCIENCES GMBH (CH) 2017-02-16 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 (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-20170044155-A1 Geminal Substituted Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA6 CPS1 3542/4885GAA 848/4885MEN1 3076/4885
US-10428062-B2 Geminal substituted aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 CPS1 3654/4885GAA 966/4885MEN1 3402/4885

“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.