SCHEMBL6538835

SCHEMBL6538835

CCN(CC)C(=O)c1nc(-c2ccc(OC)cc2)c(-c2ccc(O)cc2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.45
ESR1 P03372 1/20 0.45
HPGD P15428 3/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PPARD Q03181 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
NOX1 Q9Y5S8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR4A2 P43354 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 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
SCHEMBL6539837 0.88 HPGD (0.42) HPGDLMNATSHRSMN1; SMN2MEN1
SCHEMBL6539638 0.86 PPARD (0.47) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL6539662 0.84 PPARD (0.41) MEN1KMT2APPARDL3MBTL1NR4A2
SCHEMBL6231751 0.82 IKBKB (0.47) ESR2ESR1MEN1KMT2AALDH1A1
SCHEMBL6540193 0.80 ESR2 (0.44) ESR2ESR1HPGDLMNASMN1; SMN2
SCHEMBL6539397 0.79 NR4A2 (0.44) HPGDLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6539757 0.79 PPARD (0.43) ESR2ESR1LMNASMN1; SMN2MEN1
SCHEMBL6539626 0.77 NR4A2 (0.50) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL6232652 0.77 TAAR1 (0.41) HPGDLMNATSHRSMN1; SMN2MEN1
SCHEMBL6228777 0.77 TARBP2 (0.56) HPGDTSHRSMN1; SMN2MEN1KMT2A

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-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 ESR2 667/4885ESR1 2518/4885HPGD 29/4885

“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.