SCHEMBL1005608

SCHEMBL1005608

CCC(CO)NC(C)CO

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CNR1 P21554 1/20 0.50
ADRA1A P35348 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ABCC3 O15438 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL1005605 1.00 LMNA (0.50) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL17272613 0.92 LMNA (0.46) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL2464426 0.90 TDP1 (0.50) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL3353769 0.83 LMNA (0.60) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL9949899 0.81
SCHEMBL13741273 0.81
SCHEMBL4781355 0.81 LMNA (0.52) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL13392137 0.81
SCHEMBL13741465 0.79
SCHEMBL24946348 0.78 LMNA (0.40) LMNATDP1CNR1ADRA1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A LMNA 3152/4885TDP1 4081/4885CNR1 171/4885

“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.