SCHEMBL2951690

SCHEMBL2951690

COC(=O)c1ccc(-n2ccc(OC)cc2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 2/20 0.48
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
FGFR1 P11362 1/20 0.45
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL2949014 0.86 CA1 (0.53) CA1CA2ALDH1A1KDM4EKMT2A
SCHEMBL2946109 0.83 CA1 (0.53) CA1CA2ALDH1A1KDM4EMAPT
SCHEMBL14158066 0.80 ALDH1A1 (0.52) CA1CA2ALDH1A1KDM4EKMT2A
SCHEMBL23071631 0.78 MCHR1 (0.52)
SCHEMBL18011077 0.78 FGFR1 (0.50) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL6377479 0.76 FGFR1 (0.55) CA1CA2ALDH1A1KDM4EMAPT
SCHEMBL4375944 0.76 MAOB (0.53)
SCHEMBL16503321 0.76 ALDH1A1 (0.64) CA1CA2ALDH1A1KDM4EKMT2A
SCHEMBL16345385 0.75 FGFR1 (0.55) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL2118635 0.74 ALDH1A1 (0.55) CA1CA2ALDH1A1KDM4EKMT2A

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 CA1 1805/4885CA2 3763/4885ALDH1A1 2651/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CA1 2570/4885CA2 4154/4885ALDH1A1 2460/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CA1 1805/4885CA2 3763/4885ALDH1A1 2651/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR CA1 3175/4885CA2 4102/4885ALDH1A1 3404/4885

“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.