SCHEMBL29389652

SCHEMBL29389652

CC1=C(C(=O)OC(C)c2ccccc2)[C@H](c2csc3ccncc23)C([N+](=O)[O-])=C(C)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
CYP2C9 P11712 7/20 0.42
CYP2C19 P33261 7/20 0.42
PDE4D Q08499 3/20 0.42
PDE1C Q14123 2/20 0.42
PDE2A O00408 1/20 0.42
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE10A Q9Y233 1/20 0.42
CYP1A2 P05177 7/20 0.42
ADORA3 P0DMS8 6/20 0.42
CYP3A4 P08684 6/20 0.42
CACNA1C Q13936 5/20 0.42
KMT2A Q03164 5/20 0.42
TSHR P16473 4/20 0.42
NFKB1 P19838 4/20 0.42
MEN1 O00255 4/20 0.42

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
SCHEMBL29390127 1.00 MAPT (0.46) MAPTCYP2C9CYP2C19PDE4DPDE1C
SCHEMBL29388969 1.00 MAPT (0.46) MAPTCYP2C9CYP2C19PDE4DPDE1C
SCHEMBL29389135 0.90 MAPT (0.54) MAPTCYP2C9CYP2C19CYP1A2ADORA3
SCHEMBL29387201 0.86 MAPT (0.44) MAPTCYP2C9CYP2C19PDE4DCYP1A2
SCHEMBL29389823 0.85 MAPT (0.44) MAPTCYP2C9CYP2C19PDE4DCYP1A2
SCHEMBL7407834 0.84 MAPT (0.39) MAPTCYP2C9CYP2C19CYP1A2ADORA3
SCHEMBL7409728 0.84 MAPT (0.39) MAPTCYP2C9CYP2C19CYP1A2ADORA3
SCHEMBL7410189 0.84 MAPT (0.39) MAPTCYP2C9CYP2C19CYP1A2ADORA3
SCHEMBL29389617 0.80 CACNA1C (0.42) MAPTCYP2C9CYP2C19PDE4DCYP1A2
SCHEMBL29386583 0.80 CACNA1C (0.44) MAPTCYP2C9CYP2C19CYP1A2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240366627-A1 SMALL MOLECULES FOR MOUSE SATELLITE CELL PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2024-11-07 US disclosed
US-11963964-B2 Small molecules for mouse satellite cell proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-04-23 US disclosed
US-11426400-B2 Methods of increasing satellite cell proliferation with vorinostat or bosutinib PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-08-30 US disclosed
US-20220054499-A1 SMALL MOLECULES FOR MOUSE SATELLITE CELL PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2022-02-24 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 (4 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-20220054499-A1 SMALL MOLECULES FOR MOUSE SATELLITE CELL PROLIFERATION MKI67, MYLK2, MYH2 MAPT 4150/4885CYP2C9 4884/4885CYP2C19 4885/4885
US-20240366627-A1 SMALL MOLECULES FOR MOUSE SATELLITE CELL PROLIFERATION MKI67, MYLK2, MYH2 MAPT 4150/4885CYP2C9 4884/4885CYP2C19 4885/4885
US-11963964-B2 Small molecules for mouse satellite cell proliferation MKI67, MYLK2, MYH2 MAPT 4150/4885CYP2C9 4884/4885CYP2C19 4885/4885
US-11426400-B2 Methods of increasing satellite cell proliferation with vorinostat or bosutinib MKI67, CDK4, CDKN1A MAPT 4143/4885CYP2C9 4839/4885CYP2C19 4834/4885

“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.