SCHEMBL4023532

SCHEMBL4023532

CCOP(=O)(O)C(O)(c1ccccc1[N+](=O)[O-])P(=O)(OC)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 2/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HPGD P15428 1/20 0.33
CTSD P07339 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4023531 0.86 NPSR1 (0.54) NPSR1ALDH1A1TDP1RAB9AHTT
SCHEMBL27603528 0.84 NPSR1 (0.50) NPSR1ALDH1A1TDP1RAB9AHTT
SCHEMBL4183713 0.84 TSHR (0.37) NPSR1ALDH1A1TDP1KMT2ASMN1; SMN2
SCHEMBL6185099 0.80 NPSR1 (0.48) NPSR1ALDH1A1TDP1RAB9ACA1
SCHEMBL643541 0.76 NPSR1 (0.46) NPSR1ALDH1A1TDP1RAB9ACA1
SCHEMBL641786 0.72 NPSR1 (0.42) NPSR1ALDH1A1TDP1RAB9ACA1
SCHEMBL31688384 0.69 ALDH1A1 (0.51) ALDH1A1TDP1RAB9ACA1CA2
SCHEMBL917444 0.69 ALDH1A1 (0.51) ALDH1A1TDP1RAB9ACA1CA2
SCHEMBL28033708 0.69 NPSR1 (0.47) NPSR1ALDH1A1TDP1HTTKMT2A
SCHEMBL15284094 0.68 NPSR1 (0.59) NPSR1ALDH1A1TDP1RAB9AHTT

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
EP-1537075-B1 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2009-07-01 EP disclosed
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US disclosed
EP-1537075-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2005-06-08 EP disclosed
WO-2004022529-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 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-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers KIT, ORAI1, CACNA1C NPSR1 813/4885ALDH1A1 1538/4885TDP1 4746/4885

“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.