SCHEMBL4382196

SCHEMBL4382196

O=C(O)c1cc2c(s1)c(C1CCCCC1)c1n2CCCc2ccccc2-1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
MTNR1A P48039 12/20 0.41
MTNR1B P49286 12/20 0.41
MCL1 Q07820 1/20 0.35
POLB P06746 1/20 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
SCHEMBL2156837 0.86 KDM4E (0.34) NOTUMKDM4EALDH1A1LMNAHPGD
SCHEMBL4389329 0.83 SIGMAR1 (0.34) NOTUMKDM4EALDH1A1LMNAHPGD
SCHEMBL4394875 0.82 PRKCA (0.33) NOTUMKDM4EALDH1A1LMNAHPGD
SCHEMBL4390041 0.82 ALDH1A1 (0.37) KDM4EALDH1A1LMNAHPGDPOLB
SCHEMBL13476321 0.82 PRKCA (0.42) NOTUMKDM4EALDH1A1LMNAHPGD
SCHEMBL4387692 0.81 MMP12 (0.36) KDM4EALDH1A1HPGD
SCHEMBL4383179 0.80 KDM4E (0.32) NOTUMKDM4EALDH1A1LMNAHPGD
SCHEMBL2156557 0.80 PRKCA (0.39) KDM4EALDH1A1LMNA
SCHEMBL2156306 0.80 KDM4E (0.42) KDM4ELMNAPOLB
SCHEMBL4382706 0.80 DHODH (0.32) NOTUMKDM4EALDH1A1LMNAHPGD

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 NOTUM 4789/4885KDM4E 3275/4885ALDH1A1 433/4885

“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.