SCHEMBL259417

SCHEMBL259417

O=c1[nH]c(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)nc2ccc(O)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 7/20 0.50
▸ TNKS O95271 6/20 0.50
▸ TNKS2 Q9H2K2 6/20 0.50
▸ PARP1 P09874 5/20 0.50
▸ NLRP3 Q96P20 1/20 0.49
▸ PARP2 Q9UGN5 1/20 0.49
▸ NPBWR1 P48145 2/20 0.48
▸ MAPT P10636 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP1A1 P04798 2/20 0.42
▸ CYP1B1 Q16678 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ CASP3 P42574 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
SCHEMBL259520 0.85 TNKS (0.68) GUSBTNKSTNKS2PARP1NLRP3
SCHEMBL259489 0.82 GUSB (0.74) GUSBTNKSTNKS2PARP1NLRP3
SCHEMBL259265 0.81 TUBB4A (0.49) GUSBTNKSTNKS2PARP1NLRP3
SCHEMBL259535 0.79 TNKS (0.45) GUSBTNKSTNKS2PARP1NLRP3
SCHEMBL30665826 0.74 TNKS (0.75) GUSBTNKSTNKS2PARP1NLRP3
SCHEMBL273167 0.72 GUSB (0.51) GUSBTNKSTNKS2PARP1MAPT
SCHEMBL7659225 0.71 MMP13 (0.72) NPBWR1MAPTRAB9AMEN1KMT2A
SCHEMBL31399869 0.71 TNKS (0.65) GUSBTNKSTNKS2PARP1NLRP3
SCHEMBL13298758 0.71 TNKS (0.72) GUSBTNKSTNKS2PARP1RAB9A
SCHEMBL2991045 0.70 TNKS (0.73) GUSBTNKSTNKS2PARP1NLRP3

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-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-20100137584-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 GUSB 1751/4885TNKS 578/4885TNKS2 487/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A GUSB 1751/4885TNKS 578/4885TNKS2 487/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A GUSB 1751/4885TNKS 578/4885TNKS2 487/4885

“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.

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