SCHEMBL13933351

SCHEMBL13933351

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CNR1 P21554 3/20 0.33
▸ TSHR P16473 1/20 0.32
▸ LSS P48449 1/20 0.32
▸ CETP P11597 1/20 0.32
▸ CCR1 P32246 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ FOLH1 Q04609 2/20 0.31
▸ RHOC P08134 1/20 0.31
▸ RHOA P61586 1/20 0.31

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
SCHEMBL13523190 0.83 MEN1 (0.32) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13521697 0.82 TMEM97 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13875713 0.81 CNR2 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL14706107 0.80 MEN1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13933350 0.80 HDAC3 (0.41) SMN1; SMN2LMNA
SCHEMBL14703493 0.80 CNR2 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13908256 0.80 TMEM97 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13933353 0.74 HDAC3 (0.41) SMN1; SMN2LMNA
SCHEMBL14706185 0.71 HDAC6 (0.41) POLB
SCHEMBL8930282 0.71 HDAC8 (0.44) MEN1KMT2AALDH1A1POLBTRPV1

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-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. 2009-03-12 — — 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-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets OTC, SLC16A8, SLC16A7 MEN1 1095/4885KMT2A 2804/4885SMN1; SMN2 2897/4885

“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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