SCHEMBL2132007

SCHEMBL2132007

CN(CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1=O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.65
TP53 P04637 3/20 0.65
CYP1A2 P05177 3/20 0.65
CYP2D6 P10635 2/20 0.65
TSHR P16473 2/20 0.65
GRIN2D O15399 1/20 0.64
GRIN3B O60391 1/20 0.64
CYP3A4 P08684 1/20 0.64
GRIN1 Q05586 1/20 0.64
GRIN2A Q12879 1/20 0.64
GRIN2B Q13224 1/20 0.64
GRIN2C Q14957 1/20 0.64
GRIN3A Q8TCU5 1/20 0.64
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL678162 0.79 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
Bromide SCHEMBL467371 0.78 SIGMAR1 (0.97) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL12648455 0.78 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL10975840 0.73 CYP3A4 (0.82) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL5681292 0.71 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL2830423 0.71 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL7429031 0.71 SIGMAR1 (0.74) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL3385087 0.71 SIGMAR1 (0.64) SIGMAR1CYP3A4MAPT
SCHEMBL5935280 0.70 SIGMAR1 (0.80) SIGMAR1TP53CYP1A2CYP2D6TSHR
Bromide SCHEMBL1780137 0.70 SIGMAR1 (0.97) SIGMAR1TP53CYP1A2CYP2D6TSHR

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-20170176446-A1 Methods for Determining the Oncogenic Condition of Cell, Uses Thereof, and Methods for Treating Cancer INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-06-22 US disclosed
US-20140221353-A1 Methods for Determining the Oncogenic Condition of Cell, Uses Thereof, and Methods for Treating Cancer AFFICHEM (FR) 2014-08-07 US disclosed
US-20120100124-A1 METHODS FOR DETERMINING THE ONCOGENIC CONDITION OF CELL, USES THEREOF, AND METHODS FOR TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2012-04-26 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 (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-20170176446-A1 Methods for Determining the Oncogenic Condition of Cell, Uses Thereof, and Methods for Treating Cancer MYC, CCNO, MKI67 SIGMAR1 2131/4885TP53 6/4885CYP1A2 3196/4885
US-20120100124-A1 METHODS FOR DETERMINING THE ONCOGENIC CONDITION OF CELL, USES THEREOF, AND METHODS FOR TREATING CANCER MYC, CCNO, MKI67 SIGMAR1 2131/4885TP53 6/4885CYP1A2 3196/4885

“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.