SCHEMBL315939

SCHEMBL315939

NC(=O)c1cccc2sc(-c3ccc(OS(=O)(=O)C(F)(F)F)cc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.39
PARP1 P09874 16/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
APP P05067 1/20 0.39
PLA2G2A P14555 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS2 P35354 1/20 0.38
DHODH Q02127 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL315601 0.81 PARP1 (0.58) PARP1PLA2G2AALOX15PTGS2HDAC6
SCHEMBL316463 0.81 PARP1 (0.52) PARP1APPDHODHPARP2PARP3
SCHEMBL316533 0.78 PARP1 (0.52) PARP1APPDHODH
SCHEMBL316913 0.76 PARP1 (0.54) CHEK2PARP1APPDHODHPARP2
SCHEMBL317029 0.72 PARP1 (0.58) PARP1DHODHPARP2
SCHEMBL289529 0.69 RAB9A (0.62)
SCHEMBL1937739 0.68 ALDH1A1 (0.59) PARP1HDAC6
SCHEMBL30874474 0.68 PARP1 (0.47) CHEK2PARP1DHODHCHEK1PARP2
SCHEMBL15514580 0.68 PARP1 (0.45) PARP1PARP2PARP3
SCHEMBL28025521 0.67 TP53 (0.45) APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093396-B2 Benzthiazole inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2012-01-10 US claimed
US-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 US claimed
US-8093396-B2 Benzthiazole inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2012-01-10 US disclosed
US-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 US disclosed
WO-2010083199-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 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 (1 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-20100183743-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP6 CHEK2 451/4885PARP1 1/4885CA1 3476/4885

“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.