SCHEMBL4386985

SCHEMBL4386985

CCN(CC)CCN1CCn2c(c(C3CCCCC3)c3sc(C(=O)O)cc32)-c2ccc(Cl)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.31
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
CCR6 P51684 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CNR1 P21554 2/20 0.30
MEN1 O00255 1/20 0.30
TACR1 P25103 1/20 0.30
KCNH2 Q12809 1/20 0.30
MCHR1 Q99705 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 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
SCHEMBL4394890 0.90 PRKCA (0.34) KMT2AKDM4EALDH1A1LMNATP53
SCHEMBL2157406 0.85 HTR1A (0.33) KMT2AKDM4EALDH1A1LMNATP53
SCHEMBL4385287 0.83 ACKR3 (0.34) KMT2AKDM4EALDH1A1LMNATP53
SCHEMBL4389335 0.82 HRH3 (0.35) TP53
SCHEMBL2156557 0.82 PRKCA (0.39) KMT2AKDM4EALDH1A1LMNATP53
SCHEMBL2156324 0.81 KDM4E (0.36) KDM4EGAAMAPTTDP1KCNH2
SCHEMBL4387244 0.80 PRKCA (0.35) KMT2AKDM4EALDH1A1LMNATP53
SCHEMBL2156286 0.79 HTR1A (0.32) KMT2AKDM4EALDH1A1LMNATP53
SCHEMBL4390041 0.79 ALDH1A1 (0.37) KMT2AKDM4EALDH1A1LMNATP53
SCHEMBL4389329 0.78 SIGMAR1 (0.34) KMT2AKDM4EALDH1A1LMNATP53

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 DRD2 45/4885KMT2A 3202/4885KDM4E 3275/4885

“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.