SCHEMBL2215437

SCHEMBL2215437

C[C@@H]1CN(c2ncc(-c3nc4ccccc4s3)cc2C=O)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 7/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.40
HPGD P15428 4/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
GAA P10253 2/20 0.39
GAK O14976 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
PKM P14618 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL2212813 0.83 ERN1 (0.46) HSD17B10TSHRMAPK1ALDH1A1KDM4E
SCHEMBL2214778 0.82 ALDH1A1 (0.50) HSD17B10TSHRMAPK1ALDH1A1KDM4E
SCHEMBL2213588 0.81 IRAK4 (0.41) HSD17B10TSHRMAPK1ALDH1A1KDM4E
SCHEMBL2215416 0.81 GAK (0.52) HSD17B10TSHRMAPK1ALDH1A1KDM4E
SCHEMBL2217944 0.79 SCN9A (0.43) HSD17B10TSHRMAPK1ALDH1A1KDM4E
SCHEMBL2216534 0.78 GSK3B (0.36) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL2212962 0.78 KDM4E (0.43) HSD17B10TSHRMAPK1ALDH1A1KDM4E
SCHEMBL2215288 0.77 L3MBTL1 (0.44) HSD17B10TSHRMAPK1ALDH1A1KDM4E
SCHEMBL2216763 0.77 ERN1 (0.40) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL2213865 0.77 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2AMEN1LMNA

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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX HSD17B10 490/4885TSHR 3897/4885MAPK1 3458/4885

“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.