SCHEMBL23005162

SCHEMBL23005162

C=C[S+]([O-])c1ccccc1N(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CHEK1 O14757 1/20 0.33
NEK2 P51955 1/20 0.33
LIMK1 P53667 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
HTR6 P50406 1/20 0.31
NSD2 O96028 1/20 0.31
EGFR P00533 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7449888 0.74 TSHR (0.38) ALDH1A1TSHRTDP1
SCHEMBL5835264 0.71 ALDH1A1 (0.43) ALDH1A1TSHRLMNATDP1
SCHEMBL19225697 0.69 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL65263 0.65 MAPT (0.55) MAPTGAAALDH1A1TP53TSHR
SCHEMBL21578004 0.64 MAPT (0.44) MAPTGAAALDH1A1TP53TSHR
SCHEMBL29558930 0.64 ALDH1A1 (0.44) MAPTGAAALDH1A1TP53TSHR
SCHEMBL81306 0.64 ALDH1A1 (0.44) MAPTGAAALDH1A1TP53TSHR
SCHEMBL1332391 0.63 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL1332417 0.63 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL1331251 0.63 ALDH1A1 (0.38) ALDH1A1TSHR

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-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY (US) 2021-11-16 US disclosed
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY 2021-02-25 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-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX MAPT 4669/4885GAA 3677/4885ALDH1A1 941/4885
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX MAPT 4669/4885GAA 3677/4885ALDH1A1 941/4885

“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.