SCHEMBL14545708

SCHEMBL14545708

O=C(NO)[C@H]1CCCN[C@@H]1C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 18/20 0.89
ERBB2 P04626 14/20 0.89
MMP2 P08253 17/20 0.68
MMP8 P22894 1/20 0.55
MMP12 P39900 1/20 0.55
ADAM17 P78536 1/20 0.55
MMP9 P14780 3/20 0.53
BACE1 P56817 2/20 0.50
MMP3 P08254 1/20 0.46

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
SCHEMBL22803404 1.00 ADAM10 (0.89) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL20323015 1.00 ADAM10 (0.89) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL27651709 0.87 ADAM10 (0.68) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL16406531 0.84 ADAM10 (0.64) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL6336101 0.84 ADAM10 (0.67) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL6336103 0.84 ADAM10 (0.67) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL6344361 0.84 ADAM10 (0.67) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL27651706 0.82 ADAM10 (0.79) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL1364417 0.81 ADAM10 (1.00) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL1364081 0.81 ADAM10 (1.00) ADAM10ERBB2MMP2MMP9MMP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390912-A1 EVALUATION OF PRESENCE OF AND VULNERABILITY TO ATRIAL FIBRILLATION AND OTHER INDICATIONS USING MATRIX METALLOPROTEINASE-BASED IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2020-12-17 US disclosed
US-20180177901-A1 EVALUATION OF PRESENCE OF AND VULNERABILITY TO ATRIAL FIBRILLATION AND OTHER INDICATIONS USING MATRIX METALLOPROTEINASE-BASED IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2018-06-28 US disclosed
US-20150023873-A1 EVALUATION OF PRESENCE OF AND VULNERABILITY TO ATRIAL FIBRILLATION AND OTHER INDICATIONS USING MATRIX METALLOPROTEINASE-BASED IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2015-01-22 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 (3 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-20180177901-A1 EVALUATION OF PRESENCE OF AND VULNERABILITY TO ATRIAL FIBRILLATION AND OTHER INDICATIONS USING MATRIX METALLOPROTEINASE-BASED IMAGING MMP3, MMP1, TIMP3 ADAM10 32/4885ERBB2 3763/4885MMP2 19/4885
US-20150023873-A1 EVALUATION OF PRESENCE OF AND VULNERABILITY TO ATRIAL FIBRILLATION AND OTHER INDICATIONS USING MATRIX METALLOPROTEINASE-BASED IMAGING MMP3, MMP1, TIMP3 ADAM10 32/4885ERBB2 3763/4885MMP2 19/4885
US-20200390912-A1 EVALUATION OF PRESENCE OF AND VULNERABILITY TO ATRIAL FIBRILLATION AND OTHER INDICATIONS USING MATRIX METALLOPROTEINASE-BASED IMAGING MMP3, MMP1, TIMP3 ADAM10 32/4885ERBB2 3763/4885MMP2 19/4885

“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.