SCHEMBL2421607

SCHEMBL2421607

CCOc1cc(C=O)c(-c2ncc(Br)c3ccccc23)c(OCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 3/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ERN1 O75460 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PTK6 Q13882 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
NTSR1 P30989 1/20 0.32

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
SCHEMBL2417095 0.86 ERN1 (0.36) LMNAALDH1A1GAAPOLBKDM4E
SCHEMBL2414360 0.71 ALDH1A1 (0.38) LMNAALDH1A1GAAPOLBKDM4E
SCHEMBL31357171 0.70 L3MBTL1 (0.44) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2421608 0.67 S1PR1 (0.45) LMNAALDH1A1GAAPOLBKDM4E
SCHEMBL2038665 0.67 LMNA (0.49) LMNAALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL28320576 0.66 LMNA (0.54) LMNAALDH1A1GAAPOLBKDM4E
SCHEMBL15145284 0.66 LMNA (0.59) LMNAALDH1A1GAAPOLBKDM4E
SCHEMBL289027 0.66 LMNA (0.59) LMNAALDH1A1GAAPOLBKDM4E
SCHEMBL6901917 0.66 LMNA (0.50) LMNAALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL1748345 0.64 LMNA (0.49) LMNAALDH1A1GAAPOLBKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026255-B2 Substituted piperidines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMAN-LA ROCHE INC. (US) 2011-09-27 US disclosed
US-20100222350-A1 PHENYL, PYRIDINE, QUINOLINE, ISOQUINOLINE, NAPHTHYRIDINE AND PYRAZINE DERIVATIVES BINGGELI ALFRED 2010-09-02 US disclosed
US-7754744-B2 Substituted piperidinamines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMANN-LA ROCHE INC. (US) 2010-07-13 US disclosed
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 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-20100222350-A1 PHENYL, PYRIDINE, QUINOLINE, ISOQUINOLINE, NAPHTHYRIDINE AND PYRAZINE DERIVATIVES SSTR5, SSTR3, SSTR1 LMNA 3026/4885ALDH1A1 2244/4885GAA 1390/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 LMNA 3026/4885ALDH1A1 2244/4885GAA 1390/4885

“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.