SCHEMBL5465254

SCHEMBL5465254

O=[N+]([O-])c1cc(OCC(O)CO)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
RAF1 P04049 1/20 0.45
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
PAX8 Q06710 1/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.44
VCAM1 P19320 6/20 0.44
GAA P10253 2/20 0.43
AR P10275 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39

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) MAPK1ALDH1A1LMNAMAPTKMT2A
SCHEMBL5455930 0.81 SMN1; SMN2 (0.54) MAPK1ALDH1A1LMNAMAPTKMT2A
SCHEMBL11052562 0.81 MAPT (0.61) MAPK1ALDH1A1LMNAMAPTTSHR
SCHEMBL5458467 0.80 VCAM1 (0.49) MAPK1ALDH1A1LMNAMAPTRAF1
SCHEMBL3819214 0.78 HCAR3 (0.45) MAPK1MAPTKMT2ASMN1; SMN2TSHR
SCHEMBL29392841 0.78 ALDH1A1 (0.51) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL109574 0.78 ALDH1A1 (0.51) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL5471001 0.77 AR (0.44) MAPK1ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL128166 0.77 TSHR (0.45) MAPK1ALDH1A1LMNAMAPTHPGD
SCHEMBL3819208 0.77 ALDH1A1 (0.44) MAPK1ALDH1A1LMNAMAPTKMT2A

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 MAPK1 1466/4885ALDH1A1 731/4885LMNA 3721/4885

“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.