SCHEMBL19731594

SCHEMBL19731594

CC(C)C(NC(=O)CCOCC1c2ccccc2-c2ccccc21)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SSTR3 P32745 1/20 0.37
▸ FURIN P09958 4/20 0.37
▸ PDF Q9HBH1 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ SIRT1 Q96EB6 3/20 0.33
▸ SIRT2 Q8IXJ6 3/20 0.33
▸ SIRT3 Q9NTG7 2/20 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
SCHEMBL23880537 0.94 MAP1LC3B (0.37) MAP1LC3BHTR2ASSTR3FURINSIRT5
SCHEMBL19432556 0.94 MAP1LC3B (0.37) MAP1LC3BHTR2ASSTR3FURINSIRT5
SCHEMBL31035944 0.94 MAP1LC3B (0.37) MAP1LC3BHTR2ASSTR3FURINSIRT5
SCHEMBL23880502 0.94 MAP1LC3B (0.37) MAP1LC3BHTR2ASSTR3FURINSIRT5
SCHEMBL15691954 0.91 KMT2A (0.38) MAP1LC3BHTR2ASSTR3FURINSIRT5
SCHEMBL13830646 0.91 HTR2A (0.40) MAP1LC3BHTR2ASSTR3FURINSIRT5
SCHEMBL19731720 0.91 HTR2A (0.40) MAP1LC3BHTR2ASSTR3FURINSIRT5
SCHEMBL2734925 0.91 HTR2A (0.40) MAP1LC3BHTR2ASSTR3FURINSIRT5
SCHEMBL12944195 0.91 HTR2A (0.40) MAP1LC3BHTR2ASSTR3FURINSIRT5
SCHEMBL12094377 0.91 HTR2A (0.40) MAP1LC3BHTR2ASSTR3FURINSIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360951-A1 BIOLOGICAL MATERIALS AND USES THEREOF ANTIKOR BIOPHARMA LIMITED (GB) 2017-12-21 — — 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-20170360951-A1 BIOLOGICAL MATERIALS AND USES THEREOF CD47, LNPEP, TIE1 MAP1LC3B 234/4885HTR2A 4199/4885SSTR3 1068/4885

“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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