SCHEMBL238763

SCHEMBL238763

CC(C)(C)N(C(=O)O)c1cccnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
DHODH Q02127 2/20 0.35
NAPRT Q6XQN6 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL5582871 0.81 KDM4E (0.36) SMN1; SMN2LMNAPOLBTDP1ALDH1A1
SCHEMBL14909183 0.78 KDM4E (0.39) SMN1; SMN2LMNAPOLBTDP1KDM4E
SCHEMBL2006064 0.78 SLC13A5 (0.41) POLBTDP1ALDH1A1KDM4ECYP3A4
SCHEMBL15204972 0.78 SMN1; SMN2 (0.50) SMN1; SMN2LMNAPOLBTDP1ALDH1A1
SCHEMBL118711 0.77 MEN1 (0.46) SMN1; SMN2LMNAPOLBALDH1A1KDM4E
SCHEMBL1350020 0.77 ATR (0.34) SMN1; SMN2LMNAPOLBKDM4ERAB9A
SCHEMBL19459420 0.76 SMN1; SMN2 (0.52) SMN1; SMN2LMNAPOLBTDP1ALDH1A1
SCHEMBL28449626 0.76 L3MBTL1 (0.42) LMNAPOLBALDH1A1CYP3A4L3MBTL1
SCHEMBL6615497 0.76 CHRM2 (0.36) POLBALDH1A1KDM4ECYP3A4MAPT
SCHEMBL22589893 0.76 ALDH1A1 (0.38) SMN1; SMN2LMNAPOLBALDH1A1KDM4E

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
EP-2406250-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-01-18 EP disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 SMN1; SMN2 3442/4885LMNA 2724/4885POLB 1307/4885
US-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG SMN1; SMN2 2829/4885LMNA 3966/4885POLB 2275/4885

“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.