SCHEMBL21348433

SCHEMBL21348433

CCCCCCCC(C)(CCCC)CN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
GNAO1 P09471 7/20 0.34
GNAI3 P08754 6/20 0.34
GNAI1 P63096 6/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL21118907 0.98 LTA4H (0.34) LTA4HGNAO1GNAI3GNAI1KMT2A
SCHEMBL25005825 0.98 LTA4H (0.38) LTA4HGNAO1GNAI3GNAI1KMT2A
SCHEMBL22624141 0.94 GNAO1 (0.35) LTA4HGNAO1GNAI3GNAI1KMT2A
SCHEMBL25696365 0.94 GNAO1 (0.35) LTA4HGNAO1GNAI3GNAI1KMT2A
SCHEMBL21348469 0.94 LTA4H (0.33) LTA4HGNAO1GNAI3GNAI1KMT2A
SCHEMBL25006793 0.90 HRH3 (0.31) LTA4HHRH3
SCHEMBL25789578 0.89 HRH3 (0.33) LTA4HKMT2AALDH1A1HRH3L3MBTL1
SCHEMBL18476687 0.86 HRH3 (0.31) LTA4HHRH3
SCHEMBL24123133 0.85 GNAO1 (0.42) GNAO1GNAI3GNAI1ALDH1A1L3MBTL1
SCHEMBL21120419 0.85 GNAO1 (0.42) GNAO1GNAI3GNAI1ALDH1A1L3MBTL1

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-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 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-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R LTA4H 1033/4885GNAO1 1401/4885GNAI3 112/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R LTA4H 1033/4885GNAO1 1401/4885GNAI3 112/4885

“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.