SCHEMBL13855391

SCHEMBL13855391

C=C(C)OC(=O)/N=C(\N)c1ccc(NC(=O)NCC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ F7 P08709 13/20 0.41
▸ F2 P00734 7/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ F10 P00742 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ JAK2 O60674 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
SCHEMBL13855069 0.82 HDAC1 (0.44) HDAC1HDAC2F7F2ALDH1A1
SCHEMBL13855392 0.81 F7 (0.46) HDAC1HDAC2F7F2F10
SCHEMBL13855387 0.81 ALDH1A1 (0.42) HDAC1HDAC2ALDH1A1
SCHEMBL29951995 0.74 MAPT (0.64) ALDH1A1CA12CA1CA2CA9
SCHEMBL4426386 0.71 F7 (0.64) F7F2F10
SCHEMBL13855070 0.70 PPID (0.46) HDAC1HDAC2F7ALDH1A1CA12
SCHEMBL16223190 0.68 NAMPT (0.69) ALDH1A1
SCHEMBL20335100 0.68 ALDH1A1 (0.71) ALDH1A1
SCHEMBL1514347 0.67 RAB9A (0.68) HDAC1FPR2
SCHEMBL8899533 0.66 F7 (0.46) F7F2ALDH1A1F10CA12

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-20090130085-A1 Amidino-Compounds for Stabilizing Factor VII Polypeptide Formulations NOVO NORDISH HEALTHCARE AG (CH) 2009-05-21 — — 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-20090130085-A1 Amidino-Compounds for Stabilizing Factor VII Polypeptide Formulations F7, F5, F8 HDAC1 3155/4885HDAC2 4308/4885F7 1/4885

“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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