SCHEMBL18623909

SCHEMBL18623909

CC1=N[C@](C)(c2cc([N+](=O)[O-])ccc2F)C2(CC(F)(F)C2)[C@@H](C)S1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.45
BACE2 Q9Y5Z0 2/20 0.41
ALDH1A1 P00352 7/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 6/20 0.33
LMNA P02545 5/20 0.33
HTT P42858 4/20 0.33
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 2/20 0.32
PNMT P11086 3/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL17169022 0.88 BACE1 (0.57) BACE1BACE2ALDH1A1HIF1ATDP1
SCHEMBL18636675 0.80 BACE1 (0.42) BACE1BACE2ALDH1A1MAPTLMNA
SCHEMBL18623854 0.72 BACE1 (0.40) BACE1BACE2ALDH1A1HIF1ATDP1
SCHEMBL4077560 0.68 BACE1 (0.53) BACE1BACE2ALDH1A1HIF1ATDP1
SCHEMBL12076766 0.67 BACE1 (0.57) BACE1BACE2
SCHEMBL12076764 0.67 BACE1 (0.57) BACE1BACE2
SCHEMBL12094046 0.67 BACE1 (0.57) BACE1BACE2
SCHEMBL4078991 0.67 BACE1 (0.54) BACE1BACE2ALDH1A1HIF1AMAPT
SCHEMBL18683342 0.67 BACE1 (0.46) BACE1BACE2ALDH1A1HIF1ATDP1
SCHEMBL4077694 0.66 BACE1 (0.47) BACE1BACE2ALDH1A1HIF1ATDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-03-16 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 (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-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885ALDH1A1 1285/4885

“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.