SCHEMBL10077223

SCHEMBL10077223

Cc1ccc(N=O)cc1NC(=O)/C=C/c1cncnc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 4/20 0.45
▸ MMP2 P08253 4/20 0.45
▸ MMP9 P14780 4/20 0.45
▸ EGFR P00533 1/20 0.45
▸ NAMPT P43490 8/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ THRB P10828 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10077749 0.88 NAMPT (0.53) MMP1MMP2MMP9EGFRNAMPT
SCHEMBL2679342 0.82 MMP1 (0.47) MMP1MMP2MMP9EGFRNAMPT
SCHEMBL2679345 0.82 MMP1 (0.47) MMP1MMP2MMP9EGFRNAMPT
SCHEMBL10054825 0.82 MMP1 (0.47) MMP1MMP2MMP9EGFRNAMPT
SCHEMBL2679819 0.79 SMN1; SMN2 (0.51) KDM4ETRPV1TP53MAPTSMN1; SMN2
SCHEMBL10054824 0.79 SMN1; SMN2 (0.51) KDM4ETRPV1TP53MAPTSMN1; SMN2
SCHEMBL2679821 0.79 SMN1; SMN2 (0.51) KDM4ETRPV1TP53MAPTSMN1; SMN2
SCHEMBL2679606 0.76 LMNA (0.49) MMP1MMP2MMP9EGFRNAMPT
SCHEMBL2679114 0.76 HDAC1 (0.50) MMP1MMP2MMP9EGFRNAMPT
SCHEMBL10077696 0.76 LMNA (0.49) MMP1MMP2MMP9EGFRNAMPT

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-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament BEIJING JIASHILIANBO PHARM SCI & TECH CO. LTD 2012-05-10 — — 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-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament ABL1, ABL2, BCR MMP1 2446/4885MMP2 2479/4885MMP9 3792/4885

“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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