SCHEMBL2949607

SCHEMBL2949607

CCN1CCC(COc2ccc([N+](=O)[O-])c(C)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SIGMAR1 Q99720 2/20 0.53
MAPT P10636 1/20 0.52
KDM4E B2RXH2 4/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.46
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.45
F2 P00734 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
SCHEMBL215878 0.84 SMN1; SMN2 (0.57) MEN1KMT2ASIGMAR1MAPTKDM4E
SCHEMBL214227 0.79 NPC1 (0.53) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL3701226 0.79 GAA (0.49) SIGMAR1
SCHEMBL2950858 0.79 LMNA (0.48) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL2200956 0.77 SIGMAR1 (0.49) MEN1KMT2ASIGMAR1MAPTKDM4E
SCHEMBL2552169 0.77 SIGMAR1 (0.49) MEN1KMT2ASIGMAR1MAPTNPC1
SCHEMBL2946817 0.76 HPGD (0.45) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL13836687 0.75 SIGMAR1 (0.52) SIGMAR1MAPTHTTLMNAALDH1A1
SCHEMBL20982501 0.75 MAPT (0.58) MEN1KMT2ASIGMAR1MAPTLMNA
SCHEMBL5004832 0.74 ALDH1A1 (0.69) MEN1KMT2AMAPTKDM4ENPC1

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 3 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
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 MEN1 256/4885KMT2A 2886/4885SIGMAR1 4080/4885

“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.