SCHEMBL5760853

SCHEMBL5760853

CCC(C)n1c(=O)n(CC(=O)OC(=O)C(F)(F)F)c2nc(Cl)nc(N3CCNCC3)c21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
ATP6V1B2 P21281 1/20 0.34
TBXA2R P21731 1/20 0.34
EDNRA P25101 1/20 0.34
TARBP2 Q15633 1/20 0.34
P2RX3 P56373 3/20 0.33
ALDH1A1 P00352 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
Trifluoroacetic Acid SCHEMBL5760849 0.87 LMNA (0.35) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL3877614 0.81 DPP4 (0.40) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Trifluoroacetic Acid SCHEMBL3874704 0.71 DPP4 (0.39) P2RX3
SCHEMBL13875677 0.70 P2RX3 (0.43) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL13876123 0.69 P2RX3 (0.42) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL3875374 0.69 DPP4 (0.38)
SCHEMBL3874710 0.68 DPP4 (0.37)
SCHEMBL13866897 0.68 DPP4 (0.43) P2RX3
Trifluoroacetic Acid SCHEMBL3877608 0.68 DPP4 (0.41) P2RX3
SCHEMBL5774800 0.67 DPP4 (0.50) LMNACYP2C9ALDH1A1

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-20060111362-A1 1,3-Dihydroimidazole ring compound EISAI CO., LTD. (JP) 2006-05-25 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-20060111362-A1 1,3-Dihydroimidazole ring compound NR2C2, NR0B2, DPP4 LMNA 4752/4885CYP2C9 1454/4885ATP6V1B2 2641/4885

“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.