SCHEMBL4394890

SCHEMBL4394890

CCN(CC)CCN1CCn2c(c(C3CCCCC3)c3sc(C(=O)O)cc32)-c2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL2156557 0.92 PRKCA (0.39) PRKCAMMP12KMT2ALMNASIGMAR1
SCHEMBL4386985 0.90 DRD2 (0.31) KMT2AMEN1LMNAKCNH2KDM4E
SCHEMBL4387244 0.90 PRKCA (0.35) PRKCAMMP12KMT2ALMNAKDM4E
SCHEMBL4390041 0.89 ALDH1A1 (0.37) PRKCAMMP12KMT2ALMNASIGMAR1
SCHEMBL4389329 0.88 SIGMAR1 (0.34) PRKCAMMP12KMT2AMEN1CYP3A4
SCHEMBL2157406 0.87 HTR1A (0.33) KMT2ACYP3A4LMNACHRM2CHRM1
SCHEMBL4387692 0.86 MMP12 (0.36) MMP12KDM4EALDH1A1MAPK1
SCHEMBL4383179 0.85 KDM4E (0.32) PRKCAMMP12KMT2ALMNADRD3
SCHEMBL4392549 0.85 PRKCA (0.32) PRKCAMMP12HTR1AADRA2ADRD1
SCHEMBL4382706 0.85 DHODH (0.32) PRKCAMMP12KMT2ALMNAKDM4E

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 4441/4885KMT2A 3202/4885

“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.