SCHEMBL2216096

SCHEMBL2216096

Cc1nc(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C=O)n2)c(C)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 4/20 0.34
GAK O14976 4/20 0.34
ALDH1A1 P00352 9/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3803232 1.00 TSHR (0.35) TSHRNPSR1L3MBTL1GAAGAK
SCHEMBL2212128 0.76 MTOR (0.45) L3MBTL1GAAGAKALDH1A1KDM4E
SCHEMBL2213015 0.76 GAA (0.35) TSHRNPSR1L3MBTL1GAAGAK
SCHEMBL2215391 0.76 KMT2A (0.38) TSHRNPSR1L3MBTL1GAAALDH1A1
SCHEMBL2213110 0.76 ALDH1A1 (0.42) TSHRNPSR1L3MBTL1GAAGAK
SCHEMBL2216714 0.75 GAA (0.38) TSHRNPSR1L3MBTL1GAAGAK
SCHEMBL2215311 0.75 GAK (0.39) L3MBTL1GAAGAKALDH1A1KDM4E
SCHEMBL2215037 0.75 RAB9A (0.39) L3MBTL1GAAGAKALDH1A1KDM4E
SCHEMBL2215898 0.75 BRD4 (0.39) TSHRNPSR1L3MBTL1GAAALDH1A1
SCHEMBL2215269 0.74 MTOR (0.47) L3MBTL1GAAGAKALDH1A1KMT2A

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
US-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 US disclosed
EP-2178876-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL AstraZeneca AB (SE) 2010-04-28 EP disclosed
WO-2009010801-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA UK LIMITED (GB) 2009-01-22 WO 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX TSHR 3897/4885NPSR1 2010/4885L3MBTL1 4446/4885

“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.