SCHEMBL13855387

SCHEMBL13855387

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ CASP1 P29466 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ PTGIR P43119 1/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ GPR174 Q9BXC1 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MEN1 O00255 1/20 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
SCHEMBL13855054 0.82 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL13855391 0.81 HDAC1 (0.44) ALDH1A1HDAC1HDAC2
SCHEMBL13855055 0.72 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL8238303 0.69 NPC1 (0.54) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL11291362 0.67 PTGIR (0.60) SMN1; SMN2MAPK1RAB9ANPC1MAPT
SCHEMBL2056322 0.67 RAB9A (0.56) ALDH1A1SMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL6376610 0.66 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2054580 0.66 SMN1; SMN2 (0.59) SMN1; SMN2MAPK1RAB9ANPC1MAPT
SCHEMBL10736070 0.65 PTPN1 (0.53) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL13094311 0.64 HDAC1 (0.54) ALDH1A1HDAC1HDAC2MEN1KMT2A

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 ALDH1A1 4449/4885SMN1; SMN2 657/4885MAPK1 4052/4885

“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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