SCHEMBL6025277

SCHEMBL6025277

C/C(=C\c1c2n(c3ccncc13)CCC2)[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
FBP1 P09467 2/20 0.33
MEN1 O00255 1/20 0.31
JAK2 O60674 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NTSR1 P30989 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
ABL2 P42684 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL6025281 1.00 MAPT (0.34) MAPTHTTFBP1MEN1JAK2
SCHEMBL6644319 0.81 KDM4E (0.39) MAPTFBP1MEN1ALDH1A1LMNA
SCHEMBL6644322 0.81 KDM4E (0.39) MAPTFBP1MEN1ALDH1A1LMNA
SCHEMBL6641843 0.80 MTNR1A (0.37) MAPTFBP1MEN1ALDH1A1LMNA
SCHEMBL6643341 0.80 BAZ2B (0.36) MAPTFBP1MEN1JAK2MITF
SCHEMBL6641840 0.80 MTNR1A (0.37) MAPTFBP1MEN1ALDH1A1LMNA
SCHEMBL6643338 0.80 BAZ2B (0.36) MAPTFBP1MEN1JAK2MITF
SCHEMBL6641928 0.78 GAA (0.34) MAPTFBP1ALDH1A1ABL1EGFR
SCHEMBL6643618 0.78 HTR6 (0.44) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL6643619 0.78 HTR6 (0.44) ALDH1A1LMNACYP1A2CYP3A4CYP2C9

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 MAPT 4212/4885HTT 3633/4885FBP1 938/4885

“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.