SCHEMBL4530760

SCHEMBL4530760

O=C(O)N(C(=O)O)c1nccc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.48
PIK3CB P42338 4/20 0.48
PIK3CG P48736 4/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 3/20 0.42
PLK1 P53350 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
SRD5A2 P31213 1/20 0.41
MCL1 Q07820 1/20 0.40
TYMP P19971 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
SCHEMBL31396449 0.81 PIK3CA (0.45) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL21373454 0.76 PIK3CA (0.60) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL4526945 0.74 ROCK1 (0.57) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL2369694 0.74 PIK3CA (0.57) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL7831016 0.74 LTB4R (0.47) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL28712359 0.72 PIK3CA (0.46) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL4630953 0.71 PIK3CA (0.46) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL5470733 0.71 MEN1 (0.56) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL3133778 0.69 SCN4A (0.55) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL25390143 0.69 RAB9A (0.57) PIK3CAPIK3CBPIK3CGMEN1KMT2A

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA PIK3CA 398/4885PIK3CB 493/4885PIK3CG 370/4885

“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.