SCHEMBL2953458

SCHEMBL2953458

C=Cc1sc2ccc(Cl)cc2c1C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.49
CYP2A6 P11509 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.40
AKR1B1 P15121 1/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CMA1 P23946 3/20 0.37
PFKFB3 Q16875 3/20 0.37
PFKFB4 Q16877 2/20 0.37

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
SCHEMBL1254005 0.83 ROCK1 (0.49) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL20747492 0.82 CYP2A6 (0.36) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL8295552 0.76 ROCK1 (0.56) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL24589255 0.76 ROCK1 (0.46) ROCK1PIM1PIM2
SCHEMBL14202563 0.74 TUBB4A (0.48) ROCK1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL19595207 0.73 ROCK1 (0.38) ROCK1NPSR1L3MBTL1MAPT
SCHEMBL22140794 0.73 ROCK1 (0.44) ROCK1PIM1PIM2
SCHEMBL12954833 0.73 ROCK1 (0.53) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL2824862 0.73 ROCK1 (0.53) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL23430289 0.71 BCL2L1 (0.39) CYP2A6NPSR1MAPTKDM4E

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 ROCK1 4536/4885CYP2A6 1825/4885NPSR1 2840/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ROCK1 4453/4885CYP2A6 2122/4885NPSR1 3282/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ROCK1 4536/4885CYP2A6 1825/4885NPSR1 2840/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ROCK1 4757/4885CYP2A6 2122/4885NPSR1 3274/4885

“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.