SCHEMBL20333633

SCHEMBL20333633

CCCCCCCC(CCC)NCCCN1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
GNAO1 P09471 5/20 0.41
GNAI3 P08754 4/20 0.41
GNAI1 P63096 4/20 0.41
PAOX Q6QHF9 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
SLC2A1 P11166 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL21348179 0.98 USP2 (0.44) USP2GNAO1GNAI3GNAI1PAOX
SCHEMBL26940946 0.97 USP2 (0.46) USP2GNAO1GNAI3GNAI1PAOX
SCHEMBL18799880 0.89 GNAI3 (0.40) USP2GNAO1GNAI3GNAI1PAOX
SCHEMBL20355889 0.89 GNAI3 (0.40) USP2GNAO1GNAI3GNAI1PAOX
SCHEMBL21730424 0.88 HRH3 (0.41) USP2GNAO1GNAI3GNAI1KDM4E
SCHEMBL20979276 0.86 CARM1 (0.39) USP2GNAO1GNAI3GNAI1TLR8
SCHEMBL26941612 0.86 CARM1 (0.41) USP2GNAO1GNAI3GNAI1KDM4E
SCHEMBL720551 0.86 USP2 (0.47) USP2GNAO1GNAI3GNAI1TP53
SCHEMBL719933 0.86 USP2 (0.47) USP2GNAO1GNAI3GNAI1TP53
SCHEMBL20374381 0.86 USP2 (0.43) USP2GNAO1GNAI3GNAI1TLR8

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-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 US disclosed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 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-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R USP2 2027/4885GNAO1 1401/4885GNAI3 112/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R USP2 2027/4885GNAO1 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.