SCHEMBL17898567

SCHEMBL17898567

O=C(Cc1ccccc1[N+](=O)[O-])Oc1ccc2oc3ccccc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
BCHE P06276 1/20 0.43
PTGER4 P35408 1/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APP P05067 1/20 0.42
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL17898571 0.84 LMNA (0.44) LMNANPC1MAPTALDH1A1PTGER4
SCHEMBL17902687 0.81 LMNA (0.52) LMNANPC1MAPTALDH1A1PTGER4
SCHEMBL19077932 0.80 LMNA (0.54) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL10404712 0.77 MEN1 (0.52) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL17902688 0.76 LMNA (0.47) LMNAMAPTALDH1A1PTGER4MEN1
SCHEMBL4390894 0.75 APP (0.57) MAPTALDH1A1MEN1KMT2AAPP
SCHEMBL12321263 0.74 MAPT (0.50) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL20222277 0.74 MAPT (0.51) LMNARAB9ANPC1MAPTALDH1A1
SCHEMBL17898596 0.73 MAPT (0.52) LMNANPC1MAPTALDH1A1MEN1
SCHEMBL17898591 0.73 MAPT (0.55) LMNARAB9ANPC1MAPTALDH1A1

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-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
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 4194/4885RAB9A 4471/4885NPC1 2506/4885

“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.