Sugi Predict

Sugi Predict / Compounds / SCHEMBL6025233

SCHEMBL6025233

SCHEMBL6025233

C/C(=C\c1c2n(c3ncccc13)CCC2)[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.36
▸ ELANE P08246 2/20 0.34
▸ MAPT P10636 8/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TNNI3 P19429 1/20 0.33
▸ TNNT2 P45379 1/20 0.33
▸ TNNC1 P63316 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ LMNA P02545 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C9 P11712 2/20 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
SCHEMBL6025235 1.00 FBP1 (0.36) FBP1ELANEMAPTKDM4ETDP1
SCHEMBL6024550 0.78 HTR2A (0.42) MAPTKDM4ETDP1L3MBTL1SMN1; SMN2
SCHEMBL6025281 0.77 MAPT (0.34) FBP1MAPTHTTPOLBALDH1A1
SCHEMBL6025277 0.77 MAPT (0.34) FBP1MAPTHTTPOLBALDH1A1
SCHEMBL6644319 0.74 KDM4E (0.39) FBP1MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6644322 0.74 KDM4E (0.39) FBP1MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6643338 0.73 BAZ2B (0.36) FBP1MAPTPOLBALDH1A1MAPK1
SCHEMBL6641843 0.73 MTNR1A (0.37) FBP1MAPTKDM4EPOLBALDH1A1
SCHEMBL6641840 0.73 MTNR1A (0.37) FBP1MAPTKDM4EPOLBALDH1A1
SCHEMBL6643341 0.73 BAZ2B (0.36) FBP1MAPTPOLBALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274711-B1 NEW AZA-INDOLYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-05-17 — — EP disclosed
US-6583134-B2 Tricyclic aza-indolyl derivatives substituted with ethylamine group is useful for treating central nervous system disorder,cardiovascular disorder, gastrointestinal disorders, diabetes insipidus, and particularly useful for obesity HOFFMAN-LA ROCHE INC. 2003-06-24 — — US disclosed
EP-1274711-A1 NEW AZA-INDOLYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-01-15 — — EP disclosed
US-20010025039-A1 Aza- indolyl derivatives for treating obesity HOFFMANN-LA ROCHE INC. 2001-09-27 — — US disclosed
WO-2001066548-A1 NEW AZA-INDOLYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-13 — — WO disclosed
EP-1132389-A1 New aza-indolyl derivatives for the treatment of obesity VERNALIS RESEARCH LIMITED (GB) 2001-09-12 — — EP 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-20010025039-A1 Aza- indolyl derivatives for treating obesity GPR119, GIPR, INMT FBP1 938/4885ELANE 3227/4885MAPT 4212/4885

“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.