SCHEMBL20150817

SCHEMBL20150817

O/N=C/c1c(F)cc(Cl)cc1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.35
ACHE P22303 4/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ESR1 P03372 1/20 0.33
CA9 Q16790 1/20 0.33
ESR2 Q92731 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 4/20 0.33
TSHR P16473 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 2/20 0.32
IDO1 P14902 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20148155 1.00 EPAS1 (0.35) EPAS1ACHECA12CA1CA2
SCHEMBL20150887 0.90 ALDH1A1 (0.34) EPAS1CA12CA1CA2ESR1
SCHEMBL20148158 0.90 ALDH1A1 (0.34) EPAS1CA12CA1CA2ESR1
SCHEMBL9947775 0.86 EPAS1 (0.36) EPAS1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL9947778 0.86 EPAS1 (0.36) EPAS1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL28403114 0.81 ACHE (0.38) EPAS1ACHECA12CA1CA9
SCHEMBL30995251 0.81 ACHE (0.38) EPAS1ACHECA12CA1CA9
Hydrochloric Acid SCHEMBL28407167 0.79 ACHE (0.37) EPAS1ACHECA12CA1CA9
SCHEMBL22164754 0.77 ACHE (0.33) ACHERAB9ANPC1MAPTHPGD
SCHEMBL28153812 0.76 ALDH1A1 (0.42) ACHECA12CA1CA2ESR1

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 2 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-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2018-05-17 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-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 EPAS1 2338/4885ACHE 35/4885CA12 1858/4885
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 EPAS1 2185/4885ACHE 48/4885CA12 1639/4885

“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.