SCHEMBL1950702

SCHEMBL1950702

CC(=O)N1CCc2cc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccn(C)n3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.47
LMNA P02545 6/20 0.47
THRB P10828 2/20 0.47
POLB P06746 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
TRIM24 O15164 1/20 0.39

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
SCHEMBL1949371 0.93 NOTUM (0.47) NOTUMLMNATHRBPOLBMAPT
SCHEMBL2641573 0.92 NOTUM (0.44) NOTUMLMNATHRBPOLBMAPT
SCHEMBL1950166 0.89 PTPN11 (0.43) LMNATHRBPOLBMAPTGAA
SCHEMBL1951599 0.89 DRD2 (0.40) NOTUMLMNATHRBGAADRD2
SCHEMBL1949755 0.89 DRD4 (0.43) NOTUMLMNATHRBPOLBMAPT
SCHEMBL1950714 0.88 DRD2 (0.42) LMNATHRBPOLBMAPTGAA
SCHEMBL1948520 0.82 ALDH1A1 (0.36) NOTUMTHRBGAADRD2DRD4
SCHEMBL1947007 0.82 DRD2 (0.40) NOTUMLMNAGAADRD2DRD4
SCHEMBL1950696 0.81 DRD2 (0.39) NOTUMLMNATHRBPOLBMAPT
SCHEMBL1948760 0.79 CNR2 (0.36) LMNAPOLBGAAALDH1A1

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-20110136860-A1 Compounds XENTION LTD. (GB) 2011-06-09 US claimed
US-20110136860-A1 Compounds XENTION LTD. (GB) 2011-06-09 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-20110136860-A1 Compounds NR3C2, NR5A1, NR0B2 NOTUM 2101/4885LMNA 1298/4885THRB 315/4885

“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.