SCHEMBL6645529

SCHEMBL6645529

CN(C)C1CCN(c2cc3c([N+](=O)[O-])cccc3c(=O)[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.42
TNKS O95271 2/20 0.42
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 2/20 0.37
APAF1 O14727 1/20 0.37
CDC25B P30305 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
CTSB P07858 1/20 0.36
GAA P10253 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
MEN1 O00255 1/20 0.36
NSD2 O96028 1/20 0.35
SETD2 Q9BYW2 1/20 0.35
JAK2 O60674 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL6648367 0.82 TNKS (0.59) PARP1TNKSAPAF1CDC25BCASP3
SCHEMBL6642330 0.82 HRH4 (0.49) PARP1TNKSALDH1A1TDP1GAA
SCHEMBL6645174 0.81 SETD2 (0.46) PARP1TNKSAPAF1CDC25BCASP3
SCHEMBL6646697 0.81 PARP1 (0.45) PARP1TNKSAPAF1CDC25BCASP3
SCHEMBL6646307 0.81 PARP1 (0.48) PARP1TNKSAPAF1CDC25BCASP3
SCHEMBL6643880 0.81 PARP1 (0.47) PARP1TNKSALDH1A1APAF1CDC25B
SCHEMBL6647334 0.81 TNKS (0.47) PARP1TNKSALDH1A1TDP1APAF1
SCHEMBL6643130 0.80 TNKS (0.45) PARP1TNKSALDH1A1APAF1CDC25B
SCHEMBL6645853 0.80 PARP1 (0.44) PARP1TNKSALDH1A1APAF1CDC25B
SCHEMBL6647905 0.80 PARP1 (0.44) PARP1TNKSAPAF1CDC25BCASP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US claimed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP claimed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 PARP1 2/4885TNKS 121/4885ALDH1A1 65/4885

“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.