SCHEMBL316533

SCHEMBL316533

NC(=O)c1cccc2sc(-c3ccc(O)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.52
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
RAB9A P51151 1/20 0.51
APP P05067 2/20 0.47
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGAM O43451 2/20 0.42
MGLL Q99685 1/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
DHODH Q02127 1/20 0.40

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
SCHEMBL316463 0.89 PARP1 (0.52) PARP1KDM4ENPC1LMNARAB9A
SCHEMBL316913 0.86 PARP1 (0.54) PARP1KDM4ENPC1RAB9AAPP
SCHEMBL315601 0.84 PARP1 (0.58) PARP1GAAKDM4ENPC1RAB9A
SCHEMBL317029 0.82 PARP1 (0.58) PARP1NPC1LMNARAB9ADHODH
SCHEMBL315939 0.78 CHEK2 (0.39) PARP1APPDHODH
SCHEMBL4798607 0.76 APP (0.58) PARP1MAPTGAAKDM4ENPC1
SCHEMBL4470820 0.75 PDPK1 (0.59) PARP1ALDH1A1LMNASMN1; SMN2
SCHEMBL8583785 0.75 PARP1 (0.49) PARP1
SCHEMBL30874474 0.74 PARP1 (0.47) PARP1AURKARPS6KB1DHODH
SCHEMBL5421515 0.72 ESR2 (0.46) MAPTGAAKDM4ENPC1ALDH1A1

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 3 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 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 PARP1 1/4885MAPT 2145/4885GAA 241/4885

“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.