SCHEMBL6366186

SCHEMBL6366186

CCOC(=O)c1cc(Nc2ccccc2[N+](=O)[O-])n(Cc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 3/20 0.43
P2RY14 Q15391 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FAAH O00519 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 5/20 0.42
P2RX7 Q99572 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX12 P18054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP19A1 P11511 1/20 0.41
AR P10275 1/20 0.41
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 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
SCHEMBL4837515 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1LMNAALDH1A1MEN1
SCHEMBL13373558 0.76 SMN1; SMN2 (0.58) SMN1; SMN2POLBMAPK1TDP1FAAH
SCHEMBL1233306 0.75 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPK1TDP1FAAH
Bicarbonate SCHEMBL2360581 0.74 SMN1; SMN2 (0.58) SMN1; SMN2POLBMAPK1TDP1FAAH
SCHEMBL11283595 0.73 MAPT (0.47) SMN1; SMN2POLBMAPK1LMNAALDH1A1
SCHEMBL14357208 0.73 MAPK1 (0.65) SMN1; SMN2POLBMAPK1TDP1FAAH
SCHEMBL26596748 0.73 SMN1; SMN2 (0.57) SMN1; SMN2POLBMAPK1TDP1FAAH
SCHEMBL2227637 0.73 SMN1; SMN2 (0.64) SMN1; SMN2POLBMAPK1TDP1FAAH
SCHEMBL7272333 0.72 MAPT (0.47) SMN1; SMN2POLBMAPK1LMNAALDH1A1
SCHEMBL13373542 0.72 SMN1; SMN2 (0.56) SMN1; SMN2POLBMAPK1TDP1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032777-A1 Diazacycloalkanes as oxytocin agonists FEERING B.V. (NL) 2005-02-10 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 (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-20050032777-A1 Diazacycloalkanes as oxytocin agonists OXTR, GNRHR, KISS1R SMN1; SMN2 1677/4885POLB 3801/4885MAPK1 2302/4885

“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.