SCHEMBL18527226

SCHEMBL18527226

CC(Br)C(=O)c1cn(C)c2ncc(C(F)(F)F)cc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 4/20 0.40
▸ AGBL2 Q5U5Z8 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NR3C1 P04150 2/20 0.35
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CHRNA7 P36544 2/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ MALT1 Q9UDY8 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32

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
SCHEMBL18538093 0.82 PDE2A (0.34) NTRK1ALDH1A1CHRNA7PDE2A
SCHEMBL18527091 0.80 AGBL2 (0.42) NTRK1AGBL2ALDH1A1KMT2ANR3C1
SCHEMBL18540664 0.72 CHRNA7 (0.43) NTRK1AGBL2SMN1; SMN2KDM4EALDH1A1
SCHEMBL18538037 0.70 LRRK2 (0.37) NTRK1AGBL2SMN1; SMN2KDM4EALDH1A1
SCHEMBL18527151 0.68 NR3C1 (0.32) NR3C1
SCHEMBL26093582 0.66 SMN1; SMN2 (0.43) AGBL2SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL18737714 0.66 POLB (0.49) AGBL2SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL9795320 0.65 KMT2A (0.58) SMN1; SMN2KDM4EKMT2APOLBLMNA
SCHEMBL23612094 0.64 KDM4E (0.40) NTRK1AGBL2KDM4E
SCHEMBL25848123 0.64 HSD17B10 (0.41) SMN1; SMN2KDM4EALDH1A1KMT2A

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
WO-2017031325-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2017-02-23 — — WO disclosed
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 — — US disclosed
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 — — 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 (1 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-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC NTRK1 1009/4885AGBL2 1091/4885SMN1; SMN2 2/4885

“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.

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