SCHEMBL4394875

SCHEMBL4394875

O=C(O)c1cc2c(s1)c(C1CCCCC1)c1n2CCC(O)c2ccccc2-1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
NOTUM Q6P988 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
CAMKK1 Q8N5S9 1/20 0.31
CAMKK2 Q96RR4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
THRB P10828 1/20 0.31
KMO O15229 1/20 0.30
CDK5 Q00535 2/20 0.30
CDK5R1 Q15078 2/20 0.30
MAPT P10636 2/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 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
SCHEMBL2157106 0.90 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10CDK5
SCHEMBL4382196 0.82 NOTUM (0.42) NOTUMKDM4EALDH1A1LMNAHPGD
SCHEMBL2156486 0.82 KDM4E (0.37) KDM4EALDH1A1LMNATP53POLB
SCHEMBL13476321 0.81 PRKCA (0.42) PRKCAMMP12NOTUMKDM4EALDH1A1
SCHEMBL2156837 0.79 KDM4E (0.34) PRKCAMMP12NOTUMKDM4EALDH1A1
SCHEMBL4388398 0.77 PRKCA (0.48) PRKCAMMP12NOTUMKDM4EALDH1A1
SCHEMBL13476327 0.76 SIGMAR1 (0.34) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL4389329 0.76 SIGMAR1 (0.34) PRKCAMMP12NOTUMKDM4EALDH1A1
SCHEMBL13476296 0.76 SIGMAR1 (0.34) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL2156552 0.76 TP53 (0.34) PRKCAMMP12NOTUMKDM4EALDH1A1

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-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 US claimed

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-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L PRKCA 3320/4885MMP12 4441/4885NOTUM 4789/4885

“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.