SCHEMBL2947694

SCHEMBL2947694

O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
SRD5A2 P31213 2/20 0.56
LDHA P00338 1/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 1/20 0.51
ALKBH5 Q6P6C2 1/20 0.49
FTO Q9C0B1 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
P4HTM Q9NXG6 2/20 0.49
P4HA1 P13674 1/20 0.49
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
ADH5 P11766 1/20 0.47
PDE4A P27815 1/20 0.46

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
SCHEMBL14988297 0.87 POLB (0.63) SRD5A2LDHANPC1RAB9AMEN1
SCHEMBL8974165 0.87 NPC1 (0.53) TDP1NPC1RAB9AMEN1KMT2A
SCHEMBL27617094 0.85 RAB9A (0.56) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL2029610 0.84 TP53 (0.58) TDP1LDHANPC1RAB9ASMN1; SMN2
SCHEMBL27856677 0.82 MAPT (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22164075 0.82 ELANE (0.48) NPC1RAB9ASMN1; SMN2ALKBH5FTO
SCHEMBL71038 0.82 LMNA (0.54) TDP1LDHANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27598115 0.80 LMNA (0.53) TDP1LDHANPC1RAB9ASMN1; SMN2
SCHEMBL30753641 0.79 LDHA (0.81) LDHANPC1RAB9ASMN1; SMN2TP53
SCHEMBL628405 0.79 TDP1 (0.88) TDP1SRD5A2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
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
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP 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
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 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 (4 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 TDP1 1063/4885SRD5A2 2301/4885LDHA 4064/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 TDP1 1246/4885SRD5A2 2279/4885LDHA 3848/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 TDP1 1063/4885SRD5A2 2301/4885LDHA 4064/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR TDP1 2123/4885SRD5A2 2695/4885LDHA 3246/4885

“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.