Sugi Predict

Sugi Predict / Compounds / SCHEMBL2414360

SCHEMBL2414360

SCHEMBL2414360

CCOc1cccc(C=O)c1-c1ncc(Cl)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ERN1 O75460 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ ALOX12 P18054 1/20 0.33
▸ NTSR1 P30989 1/20 0.33

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 0.85 ERN1 (0.36) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL5255673 0.77 HPGD (0.47) ALDH1A1SMN1; SMN2HPGDHTTLMNA
1,2-Dichlorobenzene SCHEMBL27565814 0.72 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL1749088 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL2421607 0.71 LMNA (0.43) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL535646 0.70 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL31401930 0.70 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL27565932 0.69 LMNA (0.56) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL28713393 0.69 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HPGDHTTLMNA
Fluoride SCHEMBL27600467 0.69 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HPGDHTTLMNA

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 ALDH1A1 2244/4885SMN1; SMN2 3204/4885HPGD 818/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 ALDH1A1 2244/4885SMN1; SMN2 3204/4885HPGD 818/4885

“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.