SCHEMBL17898596

SCHEMBL17898596

O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
VCAM1 P19320 2/20 0.48
LMNA P02545 7/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
RAF1 P04049 1/20 0.47
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47
APLNR P35414 3/20 0.45
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALOX12 P18054 1/20 0.44
CCR6 P51684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL17898576 0.85 KMT2A (0.55) MAPTL3MBTL1SMN1; SMN2LMNAALDH1A1
SCHEMBL17898591 0.85 MAPT (0.55) MAPTL3MBTL1LMNAALDH1A1HPGD
SCHEMBL17898566 0.83 MAPT (0.53) MAPTL3MBTL1LMNAALDH1A1MAPK1
SCHEMBL19490486 0.82 MAPT (0.48) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL17898575 0.81 ALOX5 (0.57) MAPTL3MBTL1SMN1; SMN2LMNAALDH1A1
SCHEMBL11731876 0.80 VCAM1 (0.65) MAPTL3MBTL1SMN1; SMN2VCAM1LMNA
SCHEMBL17898569 0.78 MAPT (0.55) MAPTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL17902701 0.76 KMT2A (0.50) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL17902702 0.75 MAPT (0.59) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL19077934 0.75 NPC1 (0.55) MAPTSMN1; SMN2LMNAALDH1A1HPGD

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 6 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-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2016-07-07 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 (2 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-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A MAPT 4620/4885L3MBTL1 2809/4885SMN1; SMN2 4625/4885
US-20160193238-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A MAPT 4620/4885L3MBTL1 2809/4885SMN1; SMN2 4625/4885

“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.