SCHEMBL4294855

SCHEMBL4294855

C=CCCCCCN[C@H](C(=O)N1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)c(C=C)cc23)C[C@H]1C(=O)O)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 2/20 0.34
EHMT2 Q96KQ7 2/20 0.34
CTSB P07858 2/20 0.33
PPP3CB P16298 1/20 0.33
ELANE P08246 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPT P10636 1/20 0.31
DHODH Q02127 1/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL2426758 0.96 DNMT1 (0.34) DNMT1EHMT2CTSBPPP3CBELANE
SCHEMBL4298045 0.86 CYP3A4 (0.38) CTSBELANEKCNH2
SCHEMBL2426760 0.86 DNMT1 (0.33) DNMT1EHMT2CTSBMAPTDHODH
SCHEMBL2894467 0.83 AAK1 (0.35) DNMT1EHMT2CTSBPPP3CB
SCHEMBL2429482 0.81 CYP3A4 (0.38) CTSBELANEKCNH2
SCHEMBL2897360 0.80 SMN1; SMN2 (0.40) MAPTDHODHHTR3EHTR3BHTR3A
SCHEMBL2894812 0.80 AAK1 (0.34) CTSBPPP3CB
SCHEMBL13026228 0.79 AAK1 (0.35) DNMT1EHMT2CTSBPPP3CB
SCHEMBL8221244 0.77 AAK1 (0.34) CTSBPPP3CB
SCHEMBL2754150 0.76 AAK1 (0.38) EHMT2CTSBPPP3CBELANEKCNH2

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-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 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-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 DNMT1 1017/4885EHMT2 3070/4885CTSB 476/4885

“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.