SCHEMBL13973873

SCHEMBL13973873

COc1ccc(NC(=O)[C@@H](C)CCCNC(=N)N)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ QPCT Q16769 3/20 0.37
▸ PRNP P04156 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ F2 P00734 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ C5 P01031 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL19445850 0.92 NPC1 (0.42) LMNAMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL12515235 0.90 LMNA (0.41) LMNAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL13973703 0.90 HSD17B10 (0.40) LMNAMEN1KMT2AHSD17B10MAPT
SCHEMBL13815082 0.89 AAK1 (0.44) LMNAMEN1KMT2APOLB
SCHEMBL15317942 0.84 LMNA (0.46) LMNAMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL19445763 0.84 LMNA (0.40) LMNAMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL10260923 0.84 NPY4R (0.39) LMNAMEN1KMT2A
SCHEMBL12515508 0.83 ALDH1A1 (0.41) LMNAMEN1KMT2APOLB
SCHEMBL10262220 0.83 ALDH1A1 (0.41) LMNAMEN1KMT2APOLB
SCHEMBL13973757 0.83 MMP2 (0.41) LMNAMEN1KMT2ASMN1; SMN2MAPT

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 LMNA 3004/4885MEN1 2352/4885KMT2A 3256/4885

“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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