SCHEMBL2990689

SCHEMBL2990689

COC(=O)CCCNS(=O)(=O)c1cccc2c([N+](=O)[O-])cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.49
FABP4 P15090 4/20 0.47
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCI P41743 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCZ Q05513 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKD1 Q15139 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL2993376 0.81 ALDH1A1 (0.67) NPY5RLMNAALDH1A1MEN1KMT2A
SCHEMBL2990276 0.81 ALDH1A1 (0.67) NPY5RLMNAALDH1A1MEN1KMT2A
SCHEMBL4172892 0.81 KMT2A (0.56) NPY5RLMNAALDH1A1MEN1KMT2A
SCHEMBL6754458 0.76 ALDH1A1 (0.64) NPY5RLMNAALDH1A1FABP4PRKD3
SCHEMBL18257232 0.75 HDAC4 (0.76) LMNAALDH1A1HDAC4HDAC10HDAC6
SCHEMBL14093751 0.74 ALDH1A1 (0.60) LMNAALDH1A1MEN1KMT2ACA12
SCHEMBL15548952 0.74 MEN1 (0.61) NPY5RALDH1A1FABP4MEN1KMT2A
SCHEMBL13091921 0.74 NPY5R (0.54) NPY5RLMNAALDH1A1MEN1KMT2A
SCHEMBL10571766 0.74 NPY5R (0.46) NPY5RLMNAALDH1A1MEN1KMT2A
SCHEMBL5201127 0.73 CA1 (0.57) LMNAALDH1A1MEN1KMT2ACA12

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-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds AUCKLAND UNISERVICES LIMITED 2010-07-08 US claimed
WO-2008030120-A1 A METHOD FOR THE FLUORESCENT DETECTION OF NITROREDUCTASE ACTIVITY USING NITRO-SUBSTITUTED AROMATIC COMPOUNDS AUCKLAND UNISERVICES LIMITED (NZ) 2008-03-13 WO claimed
US-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds AUCKLAND UNISERVICES LIMITED 2010-07-08 US disclosed
WO-2008030120-A1 A METHOD FOR THE FLUORESCENT DETECTION OF NITROREDUCTASE ACTIVITY USING NITRO-SUBSTITUTED AROMATIC COMPOUNDS AUCKLAND UNISERVICES LIMITED (NZ) 2008-03-13 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-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds BLVRB, POR, CBR3 NPY5R 4010/4885LMNA 3807/4885ALDH1A1 119/4885

“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.