SCHEMBL16615796

SCHEMBL16615796

CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ TP53 P04637 1/20 0.53
▸ NAMPT P43490 2/20 0.52
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ GPR35 Q9HC97 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ ERBB2 P04626 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL16615792 0.86 HDAC1 (0.63) ALDH1A1NAMPTHDAC1HDAC6MEN1
SCHEMBL2058694 0.78 ALDH1A1 (0.79) GFERALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13927135 0.78 ALDH1A1 (0.92) GFERALDH1A1TP53MEN1KMT2A
SCHEMBL16615800 0.77 RORC (0.66) ALDH1A1HDAC1HDAC6MEN1KMT2A
SCHEMBL7824357 0.77 ALDH1A1 (0.71) GFERALDH1A1MEN1KMT2ACYP1A2
SCHEMBL12700202 0.76 ALDH1A1 (0.73) GFERALDH1A1MEN1KMT2APPARA
SCHEMBL12172756 0.76 MAPT (0.72) GFERALDH1A1TP53MEN1KMT2A
SCHEMBL1003735 0.76 TP53 (0.68) ALDH1A1TP53HDAC1HDAC6EGFR
SCHEMBL7829395 0.76 ALDH1A1 (0.70) GFERALDH1A1TP53MEN1KMT2A
SCHEMBL16615807 0.75 NPC1 (0.63) GFERALDH1A1TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF Université de Montréal (CA) 2016-07-28 — — US disclosed
US-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF Université de Montréal (CA) 2016-07-28 — — US disclosed
WO-2015042685-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF VALORISATION-RECHERCHE (CA) 2015-04-02 — — WO 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-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF FBL, HNRNPA1, HNRNPUL1 GFER 3626/4885ALDH1A1 4383/4885TP53 2928/4885

“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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