SCHEMBL1789865

SCHEMBL1789865

CC(C)c1nn(N)c(=O)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 3/20 0.39
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KAT2B Q92831 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
USP5 P45974 1/20 0.36
ADORA1 P30542 2/20 0.35
CYP2D6 P10635 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
SCHEMBL18346735 0.80 LMNA (0.60) SMN1; SMN2LMNAALDH1A1POLBKAT2B
SCHEMBL13720606 0.77 LMNA (0.74) SMN1; SMN2LMNATSHRHSD17B10L3MBTL1
SCHEMBL1786624 0.76 NPSR1 (0.56) SMN1; SMN2LMNATSHRL3MBTL1KDM4E
SCHEMBL1786120 0.74 NPSR1 (0.46) SMN1; SMN2LMNAL3MBTL1ALDH1A1NPSR1
SCHEMBL13721612 0.73 KDM4E (0.39) SMN1; SMN2LMNATSHRKDM4EALDH1A1
SCHEMBL22552294 0.72 DHODH (0.51) SMN1; SMN2LMNATSHRHSD17B10L3MBTL1
SCHEMBL1787409 0.72 SMN1; SMN2 (0.47) SMN1; SMN2LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL1788116 0.69 ALDH1A1 (0.57) SMN1; SMN2LMNATSHRL3MBTL1KDM4E
SCHEMBL13721339 0.68 KAT2B (0.38) SMN1; SMN2LMNAKDM4EPTGS2NPSR1
SCHEMBL1791327 0.68 SMN1; SMN2 (0.61) SMN1; SMN2TSHRL3MBTL1ALDH1A1GAA

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-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 EP disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 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 (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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 SMN1; SMN2 2070/4885LMNA 1106/4885TSHR 1471/4885

“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.