SCHEMBL5963569

SCHEMBL5963569

O=S1(=O)NC2(CCCCC2)C(CNCc2ccccc2)=C1c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
THRB P10828 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MC4R P32245 5/20 0.34
SCN2A Q99250 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
LMNA P02545 1/20 0.33
NR1I3 Q14994 1/20 0.33
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
AKR1B1 P15121 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
SCHEMBL5964210 0.85 AKR1B1 (0.34) THRBALDH1A1LMNAAKR1B1
SCHEMBL5004858 0.84 AKR1B1 (0.33) KMT2AAKR1B1
SCHEMBL5963749 0.83 FPR2 (0.34) ALDH1A1LMNAAKR1B1
SCHEMBL5963305 0.82 SLC6A3 (0.39) THRBALDH1A1LMNAAKR1B1
SCHEMBL5007459 0.82 FPR2 (0.32) AKR1B1
SCHEMBL5963456 0.81 SLC6A2 (0.36) KMT2A
SCHEMBL5963556 0.80 KMT2A (0.34) KMT2ALMNA
SCHEMBL5963589 0.78 SLC6A4 (0.38) ALDH1A1LMNAAKR1B1
SCHEMBL5963772 0.78 AKR1B1 (0.33) ALDH1A1LMNAAKR1B1
SCHEMBL6820213 0.78 AKR1B1 (0.39) KMT2ATHRBALDH1A1LMNAAKR1B1

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 3 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
EP-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP 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 KMT2A 3557/4885THRB 155/4885TP53 3810/4885

“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.