SCHEMBL15928006

SCHEMBL15928006

[N-]=[N+]=NCCOCCNC(=O)OC(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.44
▸ CALCRL Q16602 2/20 0.42
▸ TLR2 O60603 1/20 0.39
▸ CHRNA1 P02708 2/20 0.38
▸ CHRNG P07510 2/20 0.38
▸ CHRNB1 P11230 2/20 0.38
▸ CHRND Q07001 2/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ SIRT5 Q9NXA8 3/20 0.38
▸ PRSS1 P07477 2/20 0.37
▸ PRSS2 P07478 2/20 0.37
▸ PRSS3 P35030 2/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ ECE1 P42892 1/20 0.37
▸ NPY1R P25929 1/20 0.37

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
SCHEMBL14129702 0.81 CPA1 (0.42) SSTR3SIRT2SIRT1
SCHEMBL26015579 0.79 ITGB1 (0.43) CALCRL
SCHEMBL25359743 0.79 CALCRL (0.51) SSTR3CALCRLCHRNA1CHRNGCHRNB1
SCHEMBL25363467 0.79 CALCRL (0.51) SSTR3CALCRLCHRNA1CHRNGCHRNB1
SCHEMBL26024621 0.78 FOLH1 (0.41) CALCRL
SCHEMBL23286081 0.77 SSTR3 (0.53) SSTR3CALCRLMMP3SIRT5SIRT2
SCHEMBL16984908 0.75 CALCRL (0.51) SSTR3CALCRLCHRNA1CHRNGCHRNB1
SCHEMBL14015260 0.75 SIRT2 (0.40) MMP3SIRT5SIRT2SIRT1
SCHEMBL26015717 0.75 HDAC3 (0.47) ECE1NPY1R
SCHEMBL16854865 0.75 CALCRL (0.54) SSTR3CALCRLCHRNA1CHRNGCHRNB1

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-9226973-B2 Dosages of immunoconjugates of antibodies and SN-38 for improved efficacy and decreased toxicity IMMUNOMEDICS, INC. (US) 2016-01-05 — — US disclosed
US-20140219914-A1 Dosages of Immunoconjugates of Antibodies and SN-38 for Improved Efficacy and Decreased Toxicity IMMUNOMEDICS, INC. (US) 2014-08-07 — — 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-20140219914-A1 Dosages of Immunoconjugates of Antibodies and SN-38 for Improved Efficacy and Decreased Toxicity CD74, CD2, CD22 SSTR3 942/4885CALCRL 2838/4885TLR2 1487/4885

“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.

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