SCHEMBL4470438

SCHEMBL4470438

CCCCNC(=O)CCc1nc2cc(Br)ccc2s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
HPGD P15428 4/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7090395 0.83 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1MAPTMAPK1HPGD
SCHEMBL2951915 0.82 RARB (0.45) HDAC6SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL2945307 0.78 HDAC6 (0.70) DYRK1AHDAC6SMN1; SMN2ALDH1A1MAPT
SCHEMBL5946247 0.77 DYRK1A (0.47) DYRK1AHDAC6ALDH1A1MAPTMAPK1
SCHEMBL2389042 0.76 DYRK1A (0.49) DYRK1AHDAC6SMN1; SMN2ALDH1A1MAPT
SCHEMBL4006075 0.73 DYRK1A (0.60) DYRK1AHDAC6SMN1; SMN2MAPTTRPV1
SCHEMBL2404805 0.72 L3MBTL1 (0.45) DYRK1AHDAC6SMN1; SMN2ALDH1A1MAPT
SCHEMBL489036 0.72 TRPV1 (0.48) DYRK1AHDAC6SMN1; SMN2MAPK1TRPV1
SCHEMBL20509420 0.71 DYRK1A (0.51) DYRK1AHDAC6TRPV1HPGD
SCHEMBL31003151 0.71 NPC1 (0.63) DYRK1AHDAC6MAPK1TRPV1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 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 (3 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 DYRK1A 4792/4885HDAC6 803/4885SMN1; SMN2 1440/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 DYRK1A 4777/4885HDAC6 578/4885SMN1; SMN2 1656/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 DYRK1A 4792/4885HDAC6 803/4885SMN1; SMN2 1440/4885

“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.