SCHEMBL4892168

SCHEMBL4892168

O=C(c1ccc(OCc2ccccc2)cc1)N1C=COC(C2=CC=CCC2)=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
SLC6A7 Q99884 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
MAOB P27338 1/20 0.40
PARP10 Q53GL7 1/20 0.40
SRD5A2 P31213 1/20 0.39
NPC1 O15118 2/20 0.39
CASP3 P42574 2/20 0.39
RAB9A P51151 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
EGFR P00533 4/20 0.38
PLA2G4B P0C869 1/20 0.38
GUSB P08236 1/20 0.37
FAAH O00519 1/20 0.37
CNR2 P34972 1/20 0.37
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL1977856 0.64 SLC6A7 (0.70) NAAASLC6A7NR4A1NR4A2NR4A3
SCHEMBL2255408 0.63 NR4A1 (0.77) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL15420889 0.63 NPC1 (0.76) NAAASLC6A7NR4A1NR4A2NR4A3
SCHEMBL6830467 0.62 NR4A2 (1.00) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL4059143 0.62 NR4A2 (1.00) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL3232949 0.62 SRD5A2 (0.90) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL228477 0.62 NR4A2 (1.00) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL11175534 0.62 NAAA (0.66) NAAASLC6A7NR4A1NR4A2NR4A3
Ethylene SCHEMBL8377795 0.62 SLC6A7 (0.63) NAAASLC6A7NR4A1NR4A2NR4A3
SCHEMBL19612619 0.62 NAAA (1.00) NAAASLC6A7NR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 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 (3 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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 NAAA 1624/4885SLC6A7 804/4885NR4A1 1084/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 NAAA 357/4885SLC6A7 568/4885NR4A1 660/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 NAAA 471/4885SLC6A7 1167/4885NR4A1 1831/4885

“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.