SCHEMBL18504886

SCHEMBL18504886

COc1cc([N+](=O)[O-])ccc1N(C=O)CC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HTT P42858 3/20 0.47
PKM P14618 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.44
EPHX1 P07099 1/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL16914009 0.86 AKR1C3 (0.41) ALDH1A1HTTPKMCYP1A2CYP3A4
SCHEMBL12157436 0.80 HPGD (0.41) ALDH1A1HTTKMT2ALMNAL3MBTL1
SCHEMBL23292628 0.80 ALDH1A1 (0.47) ALDH1A1HTTKMT2ALMNAPOLB
SCHEMBL30965483 0.80 ALDH1A1 (0.47) ALDH1A1HTTKMT2ALMNAPOLB
SCHEMBL6122746 0.79 AR (0.34) ALDH1A1CYP3A4LMNAL3MBTL1
SCHEMBL2821543 0.78 TSHR (0.50) ALDH1A1HTTPKMCYP1A2LMNA
SCHEMBL27864377 0.77 HTT (0.55) ALDH1A1HTTPKMCYP1A2CYP3A4
SCHEMBL156311 0.77 MAPT (0.47) ALDH1A1PKMCYP1A2CYP3A4CYP2C9
SCHEMBL16994101 0.76 ALDH1A1 (0.60) ALDH1A1HTTPKMCYP1A2CYP3A4
SCHEMBL16982682 0.75 ALDH1A1 (0.61) ALDH1A1HTTPKMCYP1A2CYP3A4

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-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 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-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF SMN1; SMN2, FUS, SYNCRIP ALDH1A1 3261/4885HTT 4/4885PKM 2352/4885

“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.