SCHEMBL17228549

SCHEMBL17228549

NC(=O)/C(O)=C/C(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL19676690 0.81 SMN1; SMN2 (0.38) RAB9ASMN1; SMN2CA12CA1CA9
SCHEMBL17228557 0.76 ALDH1A1 (0.43) RAB9ASMN1; SMN2CA12CA1CA9
SCHEMBL5971035 0.74 KDM4E (0.47) RAB9ASMN1; SMN2CA12CA1CA9
SCHEMBL13212895 0.74 LMNA (0.62) RAB9ASMN1; SMN2CA12CA1CA9
SCHEMBL20930121 0.73 TSHR (0.56) RAB9ASMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL27574038 0.73 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2CA12CA1CA9
SCHEMBL14902310 0.72 HTT (0.46) RAB9ASMN1; SMN2CA12CA1CA9
SCHEMBL14902296 0.72 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2CA12CA1CA9
Acrylamide SCHEMBL7045841 0.71 MEN1 (0.45) RAB9ASMN1; SMN2CA12CA1CA9
SCHEMBL1896875 0.70 RAB9A (0.52) RAB9ASMN1; SMN2CA12CA1CA9

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-9452152-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-09-27 — — US disclosed
US-20150313864-A1 Fe(III) Complex Compounds for the Treatment and Prophylaxis of Iron Deficiency Symptoms and Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2015-11-05 — — 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-20150313864-A1 Fe(III) Complex Compounds for the Treatment and Prophylaxis of Iron Deficiency Symptoms and Iron Deficiency Anemias FECH, SDHB, SLC40A1 RAB9A 2451/4885SMN1; SMN2 3363/4885CA12 673/4885

“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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