SCHEMBL21430744

SCHEMBL21430744

[N-]=[N+]=NCCCNC(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 2/20 0.56
▸ USP2 O75604 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ FOLH1 Q04609 2/20 0.53
▸ DNASE1L3 Q13609 1/20 0.51
▸ PRMT1 Q99873 1/20 0.51
▸ HTRA2 O43464 3/20 0.51
▸ HTRA1 Q92743 3/20 0.51
▸ CA9 Q16790 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ ALPL P05186 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALPI P09923 1/20 0.48
▸ ALPG P10696 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ESR1 P03372 1/20 0.48

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
SCHEMBL24943216 0.95 USP2 (0.58) ALBUSP2L3MBTL1FOLH1CA9
SCHEMBL24943218 0.88 ALB (0.59) ALBUSP2L3MBTL1FOLH1DNASE1L3
SCHEMBL13286956 0.87 ALB (0.60) ALBUSP2L3MBTL1FOLH1DNASE1L3
SCHEMBL12123525 0.87 ALB (0.60) ALBUSP2L3MBTL1FOLH1DNASE1L3
SCHEMBL15298994 0.86 USP2 (0.58) ALBUSP2L3MBTL1FOLH1DNASE1L3
SCHEMBL30153542 0.86 USP2 (0.52) ALBUSP2L3MBTL1FOLH1DNASE1L3
SCHEMBL24062674 0.86 ALB (0.59) ALBUSP2L3MBTL1FOLH1DNASE1L3
SCHEMBL24943566 0.86 ALB (0.61) ALBUSP2L3MBTL1FOLH1DNASE1L3
SCHEMBL18211595 0.86 ALB (0.59) ALBUSP2L3MBTL1FOLH1DNASE1L3
SCHEMBL18162919 0.86 ALB (0.59) ALBUSP2L3MBTL1FOLH1DNASE1L3

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
WO-2023006909-A1 FUNCTIONALISATION OF CARBOXYMETHYLCELLULOSE THE UNIVERSITY OF MANCHESTER (GB) 2023-02-02 — — WO disclosed
US-20210030882-A1 USE OF BIS-IMINOBIOTIN COMPOUND FOR DRUG DELIVERY PURPOSES MITSUI CHEMICALS, INC. (JP) 2021-02-04 — — US disclosed
WO-2019189867-A1 USE OF BIS-IMINOBIOTIN COMPOUND FOR DRUG DELIVERY PURPOSES 三井化学株式会社 2019-10-03 — — WO 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-20210030882-A1 USE OF BIS-IMINOBIOTIN COMPOUND FOR DRUG DELIVERY PURPOSES BTD, PAICS, BRD9 ALB 416/4885USP2 4400/4885L3MBTL1 3063/4885

“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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