SCHEMBL20378784

SCHEMBL20378784

CN(CCCCCC(=O)CBr)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.45
PPARG P37231 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 1/20 0.42
HDAC6 Q9UBN7 3/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
ICMT O60725 1/20 0.38
ALB P02768 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
SCHEMBL1007940 0.83 HDAC6 (0.50) MMP2PPARGBCHEHDAC6HDAC1
SCHEMBL18073570 0.83 HDAC6 (0.50) MMP2PPARGBCHEHDAC6HDAC1
SCHEMBL5170269 0.83 HDAC6 (0.50) MMP2PPARGBCHEHDAC6HDAC1
SCHEMBL17598200 0.82 MMP14 (0.50) MMP2PPARGBCHEHDAC6HDAC1
SCHEMBL1006764 0.79 LMNA (0.49) MMP2PPARGBCHEHDAC6
SCHEMBL17037834 0.79 SIGMAR1 (0.52) PPARGBCHE
SCHEMBL31478349 0.78 LMNA (0.50) MMP2PPARGBCHEHDAC6
SCHEMBL31478350 0.78 LMNA (0.50) MMP2PPARGBCHEHDAC6
SCHEMBL31478356 0.78 LMNA (0.50) MMP2PPARGBCHEHDAC6
SCHEMBL28335477 0.78 BCHE (0.45) MMP2PPARGBCHETP53L3MBTL1

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-20180201592-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS F2G LIMITED (GB) 2018-07-19 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-20180201592-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS NAT1, DPM1, IL4I1 MMP2 3835/4885PPARG 4748/4885BCHE 4045/4885

“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.