SCHEMBL18502963

SCHEMBL18502963

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
HPGD P15428 3/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL18508495 1.00 HTT (0.38) HTTHPGDTSHRMAPTALDH1A1
SCHEMBL22469242 0.86 HTT (0.39) HTTHPGDTSHRMAPTALDH1A1
SCHEMBL30683502 0.84 L3MBTL1 (0.36) HTTHPGDTSHRMAPTALDH1A1
SCHEMBL18508599 0.84 L3MBTL1 (0.36) HTTHPGDTSHRMAPTALDH1A1
SCHEMBL18502961 0.84 L3MBTL1 (0.36) HTTHPGDTSHRMAPTALDH1A1
SCHEMBL18302417 0.84 L3MBTL1 (0.36) HTTHPGDTSHRMAPTALDH1A1
SCHEMBL2162042 0.81 ALDH1A1 (0.38) HTTHPGDTSHRMAPTALDH1A1
SCHEMBL2162038 0.81 ALDH1A1 (0.38) HTTHPGDTSHRMAPTALDH1A1
SCHEMBL6311263 0.81 ALDH1A1 (0.38) HTTHPGDTSHRMAPTALDH1A1
SCHEMBL18508600 0.81 ALDH1A1 (0.38) HTTHPGDTSHRMAPTALDH1A1

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-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 (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 HTT 3527/4885HPGD 2804/4885TSHR 1585/4885
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 HTT 2932/4885HPGD 1289/4885TSHR 808/4885

“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.