SCHEMBL3258485

SCHEMBL3258485

C=CC(N=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
CYP3A4 P08684 3/20 0.40
ALOX15 P16050 3/20 0.40
HPGD P15428 3/20 0.40
USP2 O75604 2/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 4/20 0.39
CYP2C19 P33261 1/20 0.38
ALOX12 P18054 1/20 0.37
EPHX1 P07099 1/20 0.36
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
TSHR P16473 2/20 0.33
DPP4 P27487 2/20 0.33

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
SCHEMBL3261585 0.81 CYP2C19 (0.36) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL10452869 0.78 CYP2C19 (0.36) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL11766335 0.78 CYP2D6 (0.37) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL1047388 0.77 CYP2C19 (0.35) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL8780454 0.77 CYP2C19 (0.43) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL8525246 0.76 ALDH1A1 (0.35) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL488830 0.72 CYP2C19 (0.39) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL30104386 0.72 CYP3A4 (0.33) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL15295377 0.72 CYP3A4 (0.33) KDM4EMAPTCYP3A4ALOX15HPGD
SCHEMBL6889278 0.72 MIF (0.34) KDM4EMAPTCYP3A4ALOX15HPGD

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-8410075-B2 Mannich base N-oxide drugs CASCADE PRODRUG INC. (US) 2013-04-02 US disclosed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 US disclosed
EP-2136626-A1 MANNICH BASE N-OXIDE DRUGS State of Oregon acting by and through the Oregon State Board of Higher Education on behalf of the University of Oregon (US) 2009-12-30 EP disclosed
WO-2008115499-A1 MANNICH BASE N-OXIDE DRUGS STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2008-09-25 WO 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-20100016252-A1 Mannich Base N-Oxide Drugs ASAH2, MAN2B1, NNT KDM4E 3453/4885MAPT 1343/4885CYP3A4 394/4885

“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.