SCHEMBL18177869

SCHEMBL18177869

COc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HTT P42858 1/20 0.66
ABCC1 P33527 2/20 0.56
KMT2A Q03164 3/20 0.56
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
MAPK1 P28482 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
KCNJ1 P48048 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.54
MEN1 O00255 2/20 0.54
TP53 P04637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL3161300 0.85 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2HTTABCC1
SCHEMBL1600111 0.84 KMT2A (0.65) KDM4EALDH1A1KMT2AMAPK1MEN1
SCHEMBL18177860 0.84 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2HTTABCC1
SCHEMBL18177850 0.82 KCNJ1 (0.61) KDM4EALDH1A1SMN1; SMN2HTTABCC1
SCHEMBL6131992 0.80 KMT2A (0.60) KDM4EALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL11556531 0.80 MAPK1 (0.69) ALDH1A1SMN1; SMN2ABCC1KMT2AMAPK1
SCHEMBL3156573 0.80 ABCB1 (0.69) KDM4EALDH1A1SMN1; SMN2HTTABCC1
SCHEMBL22304876 0.79 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2HTTKMT2A
Methane SCHEMBL20459317 0.79 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL374154 0.78 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2KMT2AMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 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 (3 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 KDM4E 1755/4885ALDH1A1 1121/4885SMN1; SMN2 4517/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 KDM4E 1755/4885ALDH1A1 1121/4885SMN1; SMN2 4517/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 KDM4E 1755/4885ALDH1A1 1121/4885SMN1; SMN2 4517/4885

“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.