SCHEMBL12673255

SCHEMBL12673255

COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)ccc1O)CC2

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.85
DRD4 P21917 3/20 0.74
DRD3 P35462 3/20 0.68
DRD2 P14416 2/20 0.68
TMEM97 Q5BJF2 2/20 0.65
DRD1 P21728 1/20 0.64
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL1884293 0.93 SIGMAR1 (0.75) SIGMAR1DRD4DRD3DRD2TMEM97
SCHEMBL8285657 0.92 SIGMAR1 (1.00) SIGMAR1DRD4DRD3DRD2TMEM97
SCHEMBL1887340 0.89 SIGMAR1 (0.86) SIGMAR1DRD4DRD3DRD2TMEM97
SCHEMBL12673260 0.88 SIGMAR1 (0.83) SIGMAR1DRD4DRD3DRD2TMEM97
SCHEMBL12896039 0.85 SIGMAR1 (0.87) SIGMAR1DRD4DRD3DRD2TMEM97
SCHEMBL8285662 0.85 SIGMAR1 (1.00) SIGMAR1DRD4DRD3DRD2TMEM97
SCHEMBL8284828 0.83 SIGMAR1 (1.00) SIGMAR1DRD4DRD3DRD2TMEM97
SCHEMBL1887377 0.82 SIGMAR1 (0.87) SIGMAR1DRD4DRD3DRD2TMEM97
SCHEMBL1887858 0.82 DRD3 (0.74) SIGMAR1DRD4DRD3DRD2TMEM97
SCHEMBL13638098 0.81 SIGMAR1 (0.81) SIGMAR1DRD4DRD3DRD2TMEM97

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-7947838-B2 Radiolabelled benzamide analogues, their synthesis and use in diagnostic imaging WASHINGTON UNIVERSITY (US) 2011-05-24 US disclosed
US-20100150836-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-06-17 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-20100150836-A1 RADIOLABELLED BENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING TMEM97, SIGMAR1, SFN SIGMAR1 2/4885DRD4 785/4885DRD3 562/4885

“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.