SCHEMBL17898571

SCHEMBL17898571

O=C(Cc1cccc(Cl)c1[N+](=O)[O-])Oc1ccc2oc3ccccc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 5/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MMP14 P50281 1/20 0.40
PTGER4 P35408 1/20 0.39
MEN1 O00255 3/20 0.39
SLC26A4 O43511 1/20 0.39
PTPN7 P35236 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SIRT5 Q9NXA8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
AHR P35869 1/20 0.36
KEAP1 Q14145 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL17898567 0.84 LMNA (0.48) LMNAMAPTKMT2ANPSR1PTGER4
SCHEMBL17902688 0.83 LMNA (0.47) LMNAMAPTKMT2ANPSR1PTGER4
SCHEMBL17902687 0.77 LMNA (0.52) LMNAMAPTKMT2ANPSR1PTGER4
SCHEMBL19077932 0.76 LMNA (0.54) LMNAMAPTNPSR1PTGER4SLC26A4
SCHEMBL17898569 0.72 MAPT (0.55) LMNAMAPTKMT2ANPSR1MEN1
SCHEMBL17898596 0.72 MAPT (0.52) LMNAMAPTKMT2ANPSR1MEN1
SCHEMBL17898575 0.70 ALOX5 (0.57) LMNAMAPTKMT2ANPSR1MEN1
SCHEMBL20322895 0.69 LMNA (0.60) LMNAMAPTNPSR1PTGER4TDP1
SCHEMBL17898566 0.69 MAPT (0.53) LMNAMAPTKMT2ANPSR1MEN1
SCHEMBL11092358 0.69 ALDH1A1 (0.49) LMNAMAPTKMT2AMEN1ALDH1A1

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-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 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-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A LMNA 4194/4885MAPT 4620/4885KMT2A 1796/4885

“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.