SCHEMBL14703493

SCHEMBL14703493

CCN(Cc1ccc(CN(CCCCN(Cc2ccc(CN(CCCCN(Cc3ccc(CN(CCN)C(=O)CCC(=O)NCCCCCCNC(=N)NC(=N)Nc4ccc(Cl)cc4)cc3)C(=O)CCC(=O)NCCCCCCNC(=N)NC(=N)Nc3ccc(Cl)cc3)C(=O)CCC(=O)NCCCCCCNC(=N)NC(=N)Nc3ccc(Cl)cc3)cc2)C(=O)CCC(=O)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)C(=O)CCC(=O)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1)C(=O)CCC(=O)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.42
▸ HDAC3 O15379 5/20 0.39
▸ HDAC4 P56524 5/20 0.39
▸ HDAC1 Q13547 5/20 0.39
▸ HDAC7 Q8WUI4 5/20 0.39
▸ HDAC2 Q92769 5/20 0.39
▸ HDAC8 Q9BY41 5/20 0.39
▸ HDAC6 Q9UBN7 5/20 0.39
▸ HDAC9 Q9UKV0 5/20 0.39
▸ HDAC5 Q9UQL6 5/20 0.39
▸ HDAC10 Q969S8 4/20 0.39
▸ HDAC11 Q96DB2 4/20 0.39
▸ FOLH1 Q04609 4/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CNR1 P21554 1/20 0.36

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
SCHEMBL13521697 0.94 TMEM97 (0.37) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13875713 0.93 CNR2 (0.41) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13908256 0.92 TMEM97 (0.36) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14703494 0.82 HDAC3 (0.54) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14703492 0.82 HDAC3 (0.43) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13933351 0.80 MEN1 (0.35) CNR2FOLH1MEN1ALDH1A1LMNA
SCHEMBL14703491 0.77 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14012381 0.77 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14703490 0.75 SMN1; SMN2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13875714 0.74 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. (US) 2013-02-14 — — 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-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 CNR2 709/4885HDAC3 2094/4885HDAC4 1992/4885

“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.

Send feedback