SCHEMBL13973798

SCHEMBL13973798

COc1ccc(NC(C)=O)cc1C(=O)N[C@H](CCCNC(=N)N)C(=O)Nc1ccc(OCCNC(=N)N)c(C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ KCNB1 Q14721 5/20 0.37
▸ TSHR P16473 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ KCNA5 P22460 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ C5 P01031 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ HTT P42858 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
SCHEMBL10262220 0.95 ALDH1A1 (0.41) ALDH1A1KCNB1TSHRMMP2LMNA
SCHEMBL12515508 0.95 ALDH1A1 (0.41) ALDH1A1KCNB1TSHRMMP2LMNA
SCHEMBL15277753 0.95 ALDH1A1 (0.41) ALDH1A1KCNB1TSHRMMP2LMNA
SCHEMBL19486135 0.93 CA1 (0.40) ALDH1A1KCNB1TSHRMMP2LMNA
SCHEMBL21371949 0.93 CA1 (0.40) ALDH1A1KCNB1TSHRMMP2LMNA
SCHEMBL10268056 0.93 NPY4R (0.40) KCNB1TSHRMMP2KCNA5
SCHEMBL10262551 0.93 NPY4R (0.40) KCNB1TSHRMMP2KCNA5
SCHEMBL10261776 0.93 NPY4R (0.40) KCNB1TSHRMMP2KCNA5
SCHEMBL10262542 0.93 NPY4R (0.40) KCNB1TSHRMMP2KCNA5
SCHEMBL19214484 0.93 ALDH1A1 (0.39) ALDH1A1KCNB1TSHRMMP2LMNA

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-8802683-B2 Compounds for use in treatment of mucositis CELLCEUTIX CORPORATION (US) 2014-08-12 — — US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 — — 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-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 ALDH1A1 1289/4885KCNB1 4431/4885TSHR 4275/4885

“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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