SCHEMBL14703490

SCHEMBL14703490

CCN(Cc1ccc(CN(CCCCN(Cc2ccc(CN(CCCCN(Cc3ccc(CN(CCN)C(=O)CCC(=O)NCCNC(=S)Nc4ccc(S(=O)(=O)O)cc4)cc3)C(=O)CCC(=O)NCCNC(=S)Nc3ccc(S(=O)(=O)O)cc3)C(=O)CCC(=O)NCCNC(=S)Nc3ccc(S(=O)(=O)O)cc3)cc2)C(=O)CCC(=O)NCCNC(=S)Nc2ccc(S(=O)(=O)O)cc2)C(=O)CCC(=O)NCCNC(=S)Nc2ccc(S(=O)(=O)O)cc2)cc1)C(=O)CCC(=O)NCCNC(=S)Nc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA2 P00918 9/20 0.40
▸ CA1 P00915 8/20 0.40
▸ CA12 O43570 3/20 0.40
▸ HPGD P15428 2/20 0.39
▸ CA9 Q16790 6/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ HDAC3 O15379 4/20 0.38
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC2 Q92769 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC4 P56524 3/20 0.38
▸ HDAC7 Q8WUI4 3/20 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
SCHEMBL14012379 0.93 CA2 (0.44) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL14703494 0.80 HDAC3 (0.54) SMN1; SMN2LMNAHDAC3HDAC1HDAC2
SCHEMBL14703491 0.77 HDAC3 (0.48) SMN1; SMN2LMNAMAPK1HDAC3HDAC1
SCHEMBL14703493 0.75 CNR2 (0.42) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL14703486 0.75 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL17696534 0.73 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL13919712 0.73 TPSAB1 (0.47) KMT2AHPGDALDH1A1HDAC3HDAC1
SCHEMBL14703492 0.73 HDAC3 (0.43) SMN1; SMN2LMNACA2CA1CA12
SCHEMBL13875714 0.71 HDAC3 (0.51) SMN1; SMN2LMNAHDAC3HDAC1HDAC2
SCHEMBL13521689 0.71 TPSAB1 (0.47) CA2CA1HDAC3HDAC1HDAC2

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 SMN1; SMN2 69/4885MEN1 552/4885KMT2A 2822/4885

“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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