SCHEMBL259535

SCHEMBL259535

O=c1[nH]c(-c2csc([N+](=O)[O-])c2)nc2ccc(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 7/20 0.45
TNKS2 Q9H2K2 7/20 0.45
PARP1 P09874 7/20 0.45
GUSB P08236 6/20 0.45
NLRP3 Q96P20 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
NPBWR1 P48145 2/20 0.44
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL259494 0.82 TUBB4A (0.48) TNKSTNKS2PARP1GUSBNLRP3
SCHEMBL259520 0.81 TNKS (0.68) TNKSTNKS2PARP1GUSBNLRP3
SCHEMBL12811999 0.79 PARP1 (0.47) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL259417 0.79 GUSB (0.50) TNKSTNKS2PARP1GUSBNLRP3
SCHEMBL259489 0.78 GUSB (0.74) TNKSTNKS2PARP1GUSBNLRP3
SCHEMBL8601919 0.74 CHEK2 (0.60) NPBWR1MAPTRAB9ATDP1NPC1
SCHEMBL347973 0.73 TNKS (0.54) TNKSTNKS2PARP1GUSBNLRP3
SCHEMBL7464927 0.72 CHEK2 (0.49) NPBWR1MAPTRAB9AKMT2AALDH1A1
SCHEMBL30665826 0.70 TNKS (0.75) TNKSTNKS2PARP1GUSBNLRP3
SCHEMBL2991045 0.69 TNKS (0.73) TNKSTNKS2PARP1GUSBNLRP3

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-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885TNKS2 487/4885PARP1 1165/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885TNKS2 487/4885PARP1 1165/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885TNKS2 487/4885PARP1 1165/4885

“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.