SCHEMBL16615536

SCHEMBL16615536

CCC(C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
LMNA P02545 5/20 0.62
MAPT P10636 4/20 0.62
NPSR1 Q6W5P4 2/20 0.62
ALOX12 P18054 2/20 0.62
CRHBP P24387 2/20 0.60
CRHR2 Q13324 2/20 0.60
HTT P42858 4/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NAMPT P43490 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54

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
SCHEMBL17947746 0.87 ALDH1A1 (0.60) ALDH1A1LMNAMAPTNPSR1CRHBP
SCHEMBL16615791 0.87 ALDH1A1 (0.65) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL16615503 0.81 CA12 (0.61) ALDH1A1LMNAMAPTNPSR1CRHBP
SCHEMBL9138268 0.79 ALDH1A1 (0.68) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL16299060 0.79 ALDH1A1 (0.64) ALDH1A1LMNAMAPTNPSR1ALOX12
SCHEMBL16615822 0.77 ALDH1A1 (0.66) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL7752354 0.77 ALDH1A1 (0.82) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL19074542 0.77 ALDH1A1 (0.82) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL15836671 0.76 ALDH1A1 (1.00) ALDH1A1LMNAMAPTNPSR1ALOX12
SCHEMBL16615850 0.76 SCN3A (0.65) ALDH1A1LMNACRHBPCRHR2HTT

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 ALDH1A1 4383/4885LMNA 705/4885MAPT 417/4885

“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.