SCHEMBL317029

SCHEMBL317029

NC(=O)c1cccc2sc(-c3ccc(-c4cccnc4)cc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.58
PARP2 Q9UGN5 2/20 0.58
DHODH Q02127 1/20 0.58
PKN1 Q16512 1/20 0.52
PKN2 Q16513 1/20 0.52
MKNK1 Q9BUB5 11/20 0.51
MKNK2 Q9HBH9 11/20 0.51
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2A6 P11509 1/20 0.43

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
SCHEMBL316913 0.87 PARP1 (0.54) PARP1PARP2DHODHPKN1PKN2
SCHEMBL316463 0.87 PARP1 (0.52) PARP1PARP2DHODHLMNANPC1
SCHEMBL316533 0.82 PARP1 (0.52) PARP1DHODHLMNANPC1RAB9A
SCHEMBL315601 0.78 PARP1 (0.58) PARP1CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL30875610 0.74 PARP1 (0.65) PARP1PARP2DHODH
SCHEMBL2265770 0.74 PARP1 (0.65) PARP1PARP2DHODH
SCHEMBL3781416 0.73 PARP1 (0.58) PARP1PARP2DHODHPKN1PKN2
SCHEMBL4547990 0.73 ATR (0.51) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL29933473 0.72 PARP1 (0.76) PARP1PARP2DHODHPKN1PKN2
SCHEMBL29202872 0.72 RAB9A (0.48) MKNK1MKNK2NPC1RAB9ACYP2A6

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-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
WO-2010083199-A1 BENZTHIAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 WO 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 PARP1 1/4885PARP2 2/4885DHODH 567/4885

“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.