SCHEMBL4201718

SCHEMBL4201718

NCc1nnc(N2CCN(CCN3CCCC3)CC2)nc1NCc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCR4 P51679 11/20 0.39
EPHX2 P34913 2/20 0.39
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR3A P46098 2/20 0.38
HRH4 Q9H3N8 2/20 0.38

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
SCHEMBL4201714 0.84 EPHX2 (0.43) KDM4EALDH1A1POLBTDP1CCR4
SCHEMBL13780107 0.83 EPHX2 (0.51) CCR4EPHX2
SCHEMBL4205431 0.78 NPSR1 (0.43) ALDH1A1CCR4EPHX2HRH4
SCHEMBL4319329 0.75 CCR4 (0.43) CCR4HTR3AHRH4
SCHEMBL4975648 0.75 CCR4 (0.44) ALDH1A1CCR4EPHX2
SCHEMBL4318353 0.74 CCR4 (0.43) CCR4HTR3AHRH4
SCHEMBL5912913 0.73 GALR3 (0.41) CCR4EPHX2SIGMAR1HRH4
SCHEMBL4319179 0.72 CCR4 (0.42) CCR4HTR3AHRH4
SCHEMBL4208139 0.71 LMNA (0.40) ALDH1A1CCR4KCNH2
SCHEMBL4209221 0.71 CCR4 (0.42) ALDH1A1CCR4EPHX2HRH4

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-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 KDM4E 657/4885ALDH1A1 1767/4885POLB 3362/4885

“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.