SCHEMBL21404879

SCHEMBL21404879

O=C(NCCCN(CCCCN(CCCN(CCc1ccc(N=C=S)cc1)C(=O)c1cccn(O)c1=O)C(=O)c1cccn(O)c1=O)C(=O)c1cccc(=O)n1O)c1cccc(=O)n1O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL21419450 0.91 MMP1 (0.39) MMP1MMP3MMP7MMP9MMP8
Hydrochloric Acid SCHEMBL21404876 0.87 MMP1 (0.36) MMP1MMP3MMP7MMP9MMP8
SCHEMBL22815228 0.76 MMP1 (0.42) MMP1MMP3MMP7MMP9MMP8
SCHEMBL13531452 0.75 IDH1 (0.50) MMP1MMP3MMP7MMP9MMP8
SCHEMBL24327263 0.75 MMP1 (0.39) MMP1MMP3MMP7MMP9MMP8
SCHEMBL21419451 0.75 MMP1 (0.39) MMP1MMP3MMP7MMP9MMP8
SCHEMBL25162219 0.74 MMP1 (0.40) MMP1MMP3MMP7MMP9MMP8
SCHEMBL26820254 0.73 MMP1 (0.38) MMP1MMP3MMP7MMP9MMP8
SCHEMBL24636658 0.71 IDH1 (0.43) MMP1MMP3MMP7MMP9MMP8
SCHEMBL4558007 0.71 ALOX5 (0.53) MMP1MMP3MMP7MMP9MMP8

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-10821195-B2 Compositions for therapeutics, targeted PET imaging and methods of their use MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-11-03 US disclosed
US-20190298864-A1 COMPOSITIONS FOR THERAPEUTICS, TARGETED PET IMAGING AND METHODS OF THEIR USE MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2019-10-03 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 (2 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-20190298864-A1 COMPOSITIONS FOR THERAPEUTICS, TARGETED PET IMAGING AND METHODS OF THEIR USE NUCB2, NCL, SOST MMP1 2383/4885MMP3 3362/4885MMP7 4487/4885
US-10821195-B2 Compositions for therapeutics, targeted PET imaging and methods of their use NUCB2, NCL, SOST MMP1 2383/4885MMP3 3362/4885MMP7 4487/4885

“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.