SCHEMBL13521697

SCHEMBL13521697

N=C(NCCCCCCNC(=O)CCC(=O)N(CCN)Cc1ccc(CN(CCN)C(=O)CCC(=O)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1)NC(=N)Nc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ FOLH1 Q04609 4/20 0.37
▸ HDAC8 Q9BY41 4/20 0.37
▸ HDAC3 O15379 4/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC4 P56524 3/20 0.37
▸ HDAC7 Q8WUI4 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC11 Q96DB2 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC9 Q9UKV0 3/20 0.37
▸ HDAC5 Q9UQL6 3/20 0.37
▸ SLC6A3 Q01959 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 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
SCHEMBL13908256 0.96 TMEM97 (0.36) TMEM97SIGMAR1FOLH1HDAC8HDAC3
SCHEMBL13875713 0.96 CNR2 (0.41) TMEM97SIGMAR1FOLH1HDAC8HDAC3
SCHEMBL14703493 0.94 CNR2 (0.42) TMEM97SIGMAR1FOLH1HDAC8HDAC3
SCHEMBL13933351 0.82 MEN1 (0.35) TMEM97SIGMAR1FOLH1MEN1KMT2A
SCHEMBL14012381 0.78 HDAC3 (0.42) HDAC8HDAC3HDAC1HDAC4HDAC7
SCHEMBL13066658 0.76 LMNA (0.41) HDAC8SLC6A3MEN1KMT2AALDH1A1
Chlorhexidine SCHEMBL28091232 0.76 NPC1 (0.47) HDAC8SLC6A3MEN1KMT2AALDH1A1
SCHEMBL8930282 0.75 HDAC8 (0.44) HDAC8HDAC3HDAC1HDAC4HDAC7
SCHEMBL13521679 0.75 SMN1; SMN2 (0.39) SIGMAR1MEN1KMT2AALDH1A1LMNA
SCHEMBL13875714 0.75 HDAC3 (0.51) HDAC8HDAC3HDAC1HDAC4HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS ALLACCEM, INC. 2010-01-21 — — US disclosed
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY ALLACCEM, INC. 2010-01-07 — — 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 (2 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-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS PCSK9, HMGCR, CETP TMEM97 4063/4885SIGMAR1 4343/4885FOLH1 2368/4885
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY PKD1, PKD2, PAICS TMEM97 4220/4885SIGMAR1 3913/4885FOLH1 267/4885

“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.

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