SCHEMBL4390041

SCHEMBL4390041

CN1CCN(CCN2CCn3c(c(C4CCCCC4)c4sc(C(=O)O)cc43)-c3ccccc3C2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SIGMAR1 Q99720 8/20 0.36
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRKCA P17252 1/20 0.33
MMP12 P39900 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
SCHEMBL4389329 0.96 SIGMAR1 (0.34) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL4387692 0.93 MMP12 (0.36) ALDH1A1KDM4EMAPK1HPGDHSD17B10
SCHEMBL4383179 0.92 KDM4E (0.32) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL2156837 0.92 KDM4E (0.34) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL2156557 0.91 PRKCA (0.39) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL4382706 0.90 DHODH (0.32) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL4394890 0.89 PRKCA (0.34) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL4387244 0.88 PRKCA (0.35) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL4394861 0.88 CHRM1 (0.36) KMT2ALMNATP53HTTSMN1; SMN2
SCHEMBL4392549 0.84 PRKCA (0.32) SIGMAR1PRKCAMMP12

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 ALDH1A1 433/4885KDM4E 3275/4885MAPT 3980/4885

“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.