SCHEMBL5455930

SCHEMBL5455930

Cc1cc(OCC(O)CO)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MAPT P10636 2/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL9269272 0.87 TSHR (0.48) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL5426303 0.84 MAPT (0.53) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL11052562 0.83 MAPT (0.61) MAPTALDH1A1LMNATSHRMAPK1
SCHEMBL128166 0.83 TSHR (0.45) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL5323320 0.81 MAPT (0.50) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL5329373 0.81 MAPT (0.50) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL5465254 0.81 MAPK1 (0.45) SMN1; SMN2MAPTALDH1A1LMNAKMT2A
SCHEMBL5471001 0.80 AR (0.44) SMN1; SMN2ALDH1A1LMNAHTTTSHR
SCHEMBL5453599 0.80 MAPT (0.64) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL11045778 0.79 GLA (0.42) SMN1; SMN2NPC1RAB9AMAPTALDH1A1

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-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 SMN1; SMN2 4424/4885NPC1 1089/4885RAB9A 1528/4885

“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.