SCHEMBL5458282

SCHEMBL5458282

C=Cc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
TSHR P16473 4/20 0.50
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 2/20 0.46
HPGD P15428 1/20 0.45
ALDH1A1 P00352 4/20 0.43
RECQL P46063 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
VCAM1 P19320 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL11231070 0.85 MAPT (0.55) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL31482891 0.85 MAPT (0.55) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL29952850 0.83 ALDH5A1 (0.58) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL1826371 0.83 ALDH5A1 (0.58) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL27680960 0.83 MAPT (0.53) MAPTTSHRHSD17B10CYP3A4HPGD
Benzene SCHEMBL27764896 0.82 MAPT (0.52) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL16958437 0.81 TSHR (0.54) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL8965178 0.80 ALDH1A1 (0.57) MAPTTSHRHPGDALDH1A1RECQL
SCHEMBL16954832 0.78 MAPK1 (0.58) MAPTTSHRCYP3A4HPGDALDH1A1
SCHEMBL1546955 0.78 TDP1 (0.58) MAPTTSHRHSD17B10CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021050547-A1 MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-03-18 WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
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 MAPT 758/4885TSHR 1728/4885HSD17B10 854/4885

“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.