SCHEMBL4235041

SCHEMBL4235041

CCN(c1ccc(Oc2ccc(CC3COCC(=O)N3CC)cc2)cc1)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM5 P41594 1/20 0.31

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
SCHEMBL4229805 0.91 NPC1 (0.33) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4513365 0.90 NPC1 (0.34) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4236486 0.85 P2RX3 (0.33) GRM5
SCHEMBL4238871 0.84 LTA4H (0.37) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4238823 0.84
SCHEMBL5331286 0.83 LTA4H (0.35) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4521525 0.83 LTA4H (0.35) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4237406 0.82 MAPT (0.44) NPC1RAB9AMEN1KMT2AATM
SCHEMBL14543373 0.82 GAA (0.33) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL4238455 0.81 LTA4H (0.35) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US claimed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO claimed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO disclosed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO 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-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers UGT2B7, CYP4B1, CYP1B1 NPC1 633/4885RAB9A 1148/4885MEN1 932/4885

“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.