SCHEMBL16243710

SCHEMBL16243710

CC(C)(C)N(C(=O)O)C(c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
S1PR3 Q99500 1/20 0.41
HTR2A P28223 1/20 0.40
CNR1 P21554 2/20 0.39
CYP1A2 P05177 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL16243708 0.88 HDAC3 (0.37) SMN1; SMN2CYP1A2ALOX5
SCHEMBL16887735 0.83 KMT2A (0.33) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2576026 0.80 ALOX5 (0.51) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1270470 0.80 ALOX5 (0.51) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2197076 0.80 ALOX5 (0.51) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8155052 0.79 SMN1; SMN2 (0.40) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15768284 0.78 OPRK1 (0.42) LMNAALDH1A1MEN1KMT2AHTR2A
SCHEMBL14694764 0.78 OPRK1 (0.42) LMNAALDH1A1MEN1KMT2AHTR2A
SCHEMBL14694686 0.78 SIRT2 (0.45) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6825359 0.77 SMN1; SMN2 (0.39) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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-9079930-B2 Substituted pyrimidines MERCK SHARP & DOHME CORP. (US) 2015-07-14 US disclosed
US-20140349972-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP (US) 2014-11-27 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-20140349972-A1 SUBSTITUTED PYRIMIDINES HIF1AN, HIF1A, EGLN3 LMNA 4156/4885ALDH1A1 586/4885SMN1; SMN2 3526/4885

“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.