SCHEMBL4231972

SCHEMBL4231972

COc1cc([N+](=O)[O-])ccc1Oc1ccc(N(C)C(=O)c2ccc(OC34CCCC(CC3)N4C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TTR P02766 1/20 0.37
MAPT P10636 2/20 0.37
MCHR1 Q99705 2/20 0.36
KCNH2 Q12809 1/20 0.36
MET P08581 1/20 0.35
RAF1 P04049 1/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
PDGFRA P16234 1/20 0.34
KDR P35968 1/20 0.34
TBXA2R P21731 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4688703 0.92 MEN1 (0.40) ALDH1A1MEN1KMT2ATTRMAPT
SCHEMBL4235504 0.89 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATTRMAPT
SCHEMBL4232271 0.87 MCHR1 (0.38) KMT2ATTRMCHR1METLPAR1
SCHEMBL4226767 0.86 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ATTRMAPT
SCHEMBL4236537 0.81 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL4238819 0.81 MEN1 (0.41) ALDH1A1MEN1KMT2ATTRMAPT
SCHEMBL4242456 0.80 PKM (0.37) ALDH1A1MEN1KMT2AMAPTMCHR1
SCHEMBL4236267 0.77 KCNH2 (0.36) ALDH1A1MEN1KMT2ATTRKCNH2
SCHEMBL4233730 0.77 KCNH2 (0.36) ALDH1A1MEN1KMT2ATTRMAPT
SCHEMBL4228368 0.76 LPAR1 (0.39) MCHR1LPAR1LPAR5

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R ALDH1A1 4542/4885MEN1 2447/4885KMT2A 3436/4885

“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.