SCHEMBL2946935

SCHEMBL2946935

COc1cc(C(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 4/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 5/20 0.46
CHEK1 O14757 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 3/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3696017 0.79 F10 (0.41) ALDH1A1KMT2ACYP2D6HTTMEN1
SCHEMBL25383667 0.78 ALDH1A1 (0.45) ALDH1A1LMNAKMT2ACHEK1SIRT6
SCHEMBL29788525 0.78 HTT (0.59) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL31525392 0.75 SMN1; SMN2 (0.46) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL29023822 0.75 ALDH1A1 (0.42) ALDH1A1LMNANPC1KMT2ACHEK1
SCHEMBL29788583 0.74 KDM4E (0.68) ALDH1A1NPC1KMT2ACHEK1CYP1A2
SCHEMBL375580 0.74 KDM4E (0.68) ALDH1A1NPC1KMT2ACHEK1CYP1A2
SCHEMBL1230074 0.74 ALDH1A1 (0.77) ALDH1A1LMNAKMT2ASIRT6HTT
SCHEMBL4241671 0.74 ALDH1A1 (0.53) ALDH1A1LMNANPC1KMT2ACHEK1
SCHEMBL31363986 0.74 ALDH1A1 (0.53) ALDH1A1LMNANPC1KMT2ACHEK1

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 ALDH1A1 238/4885LMNA 2130/4885NPC1 118/4885

“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.