SCHEMBL2948792

SCHEMBL2948792

COc1cc(CN2CCN(C)CC2)ccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.53
ABCC1 P33527 2/20 0.53
CHKA P35790 3/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
TGFBR1 P36897 1/20 0.49
ACVR1 Q04771 1/20 0.49
POLB P06746 1/20 0.48
HDAC1 Q13547 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HDAC6 Q9UBN7 2/20 0.47
KDR P35968 1/20 0.47
CHEK1 O14757 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
SCHEMBL2944876 0.90 CHKA (0.66) ABCB1ABCC1CHKAKMT2AMEN1
SCHEMBL2952076 0.90 ADRB1 (0.48) ABCB1ABCC1
SCHEMBL2948029 0.88 EBP (0.51) ABCB1KMT2AMEN1POLBKDM4E
SCHEMBL2943659 0.82 KDM1A (0.47) KMT2AMEN1POLBKDM4E
SCHEMBL17011749 0.80 KMT2A (0.54) KMT2AMEN1KDM4E
SCHEMBL2949961 0.80 CHKA (0.56) ABCB1ABCC1CHKAKMT2A
SCHEMBL65179 0.79 HDAC6 (0.69) CHKAKMT2AMEN1POLBHDAC1
SCHEMBL16356429 0.79 HDAC6 (0.69) CHKAKMT2AMEN1POLBHDAC1
Hydrochloric Acid SCHEMBL846616 0.78 HDAC6 (0.68) CHKAKMT2AMEN1POLBHDAC1
Hydrochloric Acid SCHEMBL3272318 0.78 HDAC6 (0.68) CHKAKMT2AMEN1POLBHDAC1

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-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
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP 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 ABCB1 2207/4885ABCC1 1204/4885CHKA 3807/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ABCB1 2365/4885ABCC1 1373/4885CHKA 3671/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ABCB1 2232/4885ABCC1 2436/4885CHKA 3740/4885

“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.