SCHEMBL1800927

SCHEMBL1800927

CSCCC1NC2(CCN(C(=O)c3cccnc3Oc3ccccc3)CC2)N(C(=O)c2ccccc2[N+](=O)[O-])C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
PARP1 P09874 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
LTA4H P09960 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL1801303 0.88 ROCK2 (0.37) ROCK2PARP1POLBALDH1A1SMN1; SMN2
SCHEMBL1800564 0.87 POLB (0.42) ROCK2POLBALDH1A1KMT2AMEN1
SCHEMBL1801238 0.82 POLB (0.41) ROCK2POLBALDH1A1KMT2AMEN1
SCHEMBL1802810 0.79 POLB (0.38) ROCK2POLBHTTALDH1A1KMT2A
SCHEMBL1802453 0.69 ALDH1A1 (0.39) HTTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1803218 0.68 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1TDP1
SCHEMBL1801453 0.68 MEN1 (0.37) HTTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1800547 0.68 TDP1 (0.47) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1808204 0.67 AVPR1A (0.46) POLBHTTALDH1A1KMT2AMEN1
SCHEMBL1802983 0.67 ALDH1A1 (0.41) POLBALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed

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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 ROCK2 4597/4885PARP1 340/4885POLB 2915/4885

“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.