SCHEMBL2229916

SCHEMBL2229916

Clc1cccc(N=C(NC2CCCCC2)NC2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.56
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 3/20 0.52
ALOX12 P18054 1/20 0.52
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
CNR2 P34972 1/20 0.48
HTR3E A5X5Y0 1/20 0.47
SLC22A2 O15244 1/20 0.47

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
SCHEMBL8073231 0.83 ALDH1A1 (0.49) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL8076603 0.81 EPHX1 (0.51) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL1740909 0.80 SMN1; SMN2 (0.49) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL10493665 0.78 SIGMAR1 (0.52) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL7866576 0.76 MEN1 (0.49) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL11668525 0.74 ALDH1A1 (0.47) EPHX2NPC1RAB9AL3MBTL1MEN1
SCHEMBL2740868 0.72 NPC1 (0.50) EPHX2NPC1RAB9AKMT2ALMNA
SCHEMBL10493637 0.72 RAB9A (0.50) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL12931997 0.72 EPHX2 (1.00) EPHX2NPC1RAB9AL3MBTL1MEN1
SCHEMBL8741836 0.71 RAB9A (0.54) NPC1RAB9AMEN1KMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195041-A1 ANTIMICROBIAL COMPOSITIONS NDSU RESEARCH FOUNDATION (US) 2011-08-11 US disclosed
EP-2348831-A2 ANTIMICROBIAL COMPOSITIONS Ndsu Research Foundation (US) 2011-08-03 EP disclosed
US-20110171279-A1 POLYETHYLENIMINE BIOCIDES NDSU RESEARCH FOUNDATION (US) 2011-07-14 US disclosed
WO-2010042935-A2 ANTIMICROBIAL COMPOSITIONS NDSU RESEARCH FOUNDATION (US) 2010-04-15 WO disclosed
JP-2000128717-A ANTIFOULING AGENT FOR UNDERWATER NOXIOUS ATTACHED ORGANISM IHARA CHEM IND CO LTD 2000-05-09 JP 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-20110195041-A1 ANTIMICROBIAL COMPOSITIONS PARN, PUF60, CUTA EPHX2 4560/4885NPC1 4380/4885RAB9A 4157/4885
US-20110171279-A1 POLYETHYLENIMINE BIOCIDES PHB1, PBRM1, PUF60 EPHX2 2399/4885NPC1 3871/4885RAB9A 1077/4885

“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.