SCHEMBL22800303

SCHEMBL22800303

C=CCCOc1ccnc(-c2ccccc2C(=O)N[C@@H](CC=C)C(=O)N(C)OC)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ PGGT1B P53609 1/20 0.35
▸ P2RY12 Q9H244 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CAPN1 P07384 5/20 0.32
▸ KDM4C Q9H3R0 1/20 0.31
▸ SLC37A4 O43826 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
SCHEMBL22800283 0.96 FNTA (0.34) FNTAFNTBPGGT1BP2RY12KDM4E
SCHEMBL22800181 0.89 KDM4E (0.37) FNTAFNTBPGGT1BKDM4EALDH1A1
SCHEMBL22799653 0.86 KDM4E (0.32) KDM4ECAPN1SLC37A4
SCHEMBL22800990 0.85 FNTA (0.35) FNTAFNTBPGGT1BKDM4E
SCHEMBL22799645 0.83 EDNRA (0.33) KDM4EALDH1A1CAPN1SLC37A4
SCHEMBL22800242 0.81 PDE4A (0.34) FNTAFNTBPGGT1BHDAC1HDAC6
SCHEMBL22800873 0.79 JAK3 (0.33) KDM4E
SCHEMBL22800170 0.76 KDM4E (0.43) KDM4EALDH1A1
SCHEMBL22800150 0.76 KDM4E (0.42) KDM4EALDH1A1HDAC6
SCHEMBL22800302 0.75 KDM4C (0.45) KDM4EALDH1A1KDM4CSLC37A4

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 FNTA 3187/4885FNTB 2235/4885PGGT1B 2717/4885

“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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