SCHEMBL2297610

SCHEMBL2297610

CC(C)(C)OC(=O)C1CNCCN1c1ncccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRKCQ Q04759 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
MAPK1 P28482 1/20 0.38
GRM5 P41594 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL2298747 0.83 HTR2A (0.41) SMN1; SMN2POLBHTR2AHTR2CHTR2B
SCHEMBL2357556 0.79 HTR2A (0.38) SMN1; SMN2POLBHTR2AHTR2CHTR2B
SCHEMBL2300018 0.78 HTR2A (0.36) ALDH1A1POLBHTR2AHTR2CHTR2B
Ammonia Solution, Strong SCHEMBL27277144 0.77 CYP1A2 (0.51) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL16026451 0.77 GFER (0.47) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL7372558 0.77 MAPT (0.43) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL5674603 0.77 MAPT (0.50) SMN1; SMN2MAPTALDH1A1LMNAMAPK1
SCHEMBL31013547 0.77 PRKCQ (0.52) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL31343918 0.76 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL9983692 0.76 MAPT (0.44) SMN1; SMN2KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9421204-B2 Oligomer modified diaromatic substituted compounds NEKTAR THERAPEUTICS (US) 2016-08-23 US disclosed
US-20160143904-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS NEKTAR THERAPEUTICS 2016-05-26 US disclosed
US-9226970-B2 Oligomer modified diaromatic substituted compounds NEKTAR THERAPEUTICS (US) 2016-01-05 US disclosed
US-20130040961-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS NEKTAR THERAPEUTICS (US) 2013-02-14 US disclosed
WO-2011103559-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS NEKTAR THERAPEUTICS (US) 2011-08-25 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 (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-20130040961-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS PCNA, DNPEP, POLI SMN1; SMN2 3551/4885MEN1 4358/4885KMT2A 2559/4885
US-20160143904-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS HLA-DRB1, NOD2, DCX SMN1; SMN2 1127/4885MEN1 681/4885KMT2A 1841/4885

“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.