SCHEMBL315601

SCHEMBL315601

COc1ccc(-c2nc3c(C(N)=O)cccc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.58
PLA2G2A P14555 1/20 0.56
ALOX15 P16050 1/20 0.56
PTGS2 P35354 1/20 0.56
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CD38 P28907 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
CHEK1 O14757 1/20 0.46
SULT1A1 P50225 1/20 0.46
MGAM O43451 1/20 0.46
MGLL Q99685 1/20 0.46

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
SCHEMBL316533 0.84 PARP1 (0.52) PARP1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL316463 0.84 PARP1 (0.52) PARP1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL316913 0.82 PARP1 (0.54) PARP1KDM4ENPC1RAB9ARPS6KB1
SCHEMBL315939 0.81 CHEK2 (0.39) PARP1PLA2G2AALOX15PTGS2CHEK1
SCHEMBL9620570 0.80 APP (0.66) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL9621138 0.79 SMN1; SMN2 (0.52) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL9620827 0.78 KDM4E (0.61) PARP1KDM4ENPC1PKMRAB9A
SCHEMBL317029 0.78 PARP1 (0.58) PARP1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL316219 0.77 SMN1; SMN2 (0.60) KDM4ENPC1PKMRAB9ASMN1; SMN2
SCHEMBL316475 0.76 KDM4E (0.56) KDM4ENPC1PKMRAB9ASMN1; SMN2

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 1/4885PLA2G2A 2494/4885ALOX15 2256/4885

“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.