SCHEMBL3068233

SCHEMBL3068233

C[C@@H]1CN(c2ccc(I)cc2C=O)C[C@H](C)O1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERN1 O75460 1/20 0.41
KDM4E B2RXH2 4/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MAPT P10636 4/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL12703547 0.83 ALDH1A1 (0.45) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL1591120 0.82 KDM4E (0.44) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL1591381 0.82 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2ERN1KDM4E
SCHEMBL1591119 0.82 KDM4E (0.44) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL13268622 0.82 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL1591379 0.82 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2ERN1KDM4E
SCHEMBL1592019 0.82 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2ERN1KDM4E
SCHEMBL1591596 0.82 KDM4E (0.44) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL12704070 0.79 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL12703906 0.79 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2KDM4EHTT

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-20100261719-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
EP-2193132-A2 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2010-06-09 EP disclosed
WO-2009004382-A2 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2009-01-08 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-20100261719-A1 CHEMICAL COMPOUNDS NCOA3, NR4A3, NR0B2 ALDH1A1 2604/4885GAA 4663/4885SMN1; SMN2 2367/4885

“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.