SCHEMBL5963903

SCHEMBL5963903

CC1=C(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)N(C)C12CCCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
THRB P10828 2/20 0.40
SIRT6 Q8N6T7 1/20 0.38
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 4/20 0.37
HTR1E P28566 1/20 0.37
S1PR3 Q99500 1/20 0.37
GLA P06280 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ALDH1A1 P00352 4/20 0.36
ACHE P22303 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL18961836 0.63 AR (0.44) LMNATHRBSIRT6MAPTALDH1A1
SCHEMBL20340444 0.63 MAPT (0.44) LMNATHRBSIRT6MAPTALDH1A1
SCHEMBL1996989 0.63 ACE2 (0.40) SIRT6ALDH1A1ACHEHSD17B10PKM
SCHEMBL26218807 0.63 MAPT (0.48) LMNATHRBMAPTNPSR1HTR1E
SCHEMBL26218806 0.61 MAPT (0.49) LMNASIRT6MAPTNPSR1HTR1E
SCHEMBL18961813 0.60 MAPT (0.47) LMNASIRT6MAPTALDH1A1
SCHEMBL28198 0.60 CA1 (0.67) LMNAMAPTALDH1A1ACHEHSD17B10
SCHEMBL6423919 0.60 CA1 (0.67) LMNAMAPTALDH1A1ACHEHSD17B10
SCHEMBL23727719 0.59 NPSR1 (0.45) LMNASIRT6MAPTNPSR1HTR1E
SCHEMBL18469689 0.59 ALDH1A1 (0.52) LMNATHRBMAPTNPSR1HTR1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125840-B2 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-10-24 US disclosed
US-20040058971-A1 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY 2004-03-25 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-20040058971-A1 Substituted dipeptides as growth hormone secretagogues GHSR, GHRHR, SSTR4 LMNA 4666/4885THRB 155/4885SIRT6 980/4885

“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.