SCHEMBL4901522

SCHEMBL4901522

O=C(Cl)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.65
KDM4E B2RXH2 1/20 0.58
HPGD P15428 4/20 0.50
LMNA P02545 3/20 0.50
MRGPRX4 Q96LA9 3/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
TP53 P04637 1/20 0.48
XBP1 P17861 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48

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
SCHEMBL1457712 0.89 MEN1 (0.63) GLRA1KDM4EHPGDLMNAMRGPRX4
SCHEMBL10323322 0.87 KDM4E (0.62) GLRA1KDM4EHPGDLMNAMRGPRX4
SCHEMBL5918942 0.86 KDM4E (0.60) GLRA1KDM4EHPGDLMNAMRGPRX4
SCHEMBL28857697 0.84 KMT2A (0.60) GLRA1KDM4EHPGDLMNAMRGPRX4
SCHEMBL514495 0.84 GLRA1 (0.65) GLRA1KDM4EHPGDLMNATHRA
SCHEMBL13932500 0.84 GLRA1 (0.65) GLRA1KDM4EHPGDLMNATHRA
SCHEMBL1458413 0.83 LMNA (0.74) GLRA1KDM4EHPGDLMNAMRGPRX4
SCHEMBL348412 0.83 GLRA1 (0.68) GLRA1KDM4EHPGDLMNAMRGPRX4
SCHEMBL25922476 0.83 GLRA1 (0.63) GLRA1KDM4EHPGDLMNAMRGPRX4
SCHEMBL8756076 0.81 MRGPRX4 (0.61) GLRA1HPGDMRGPRX4MEN1KMT2A

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-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
EP-1293213-A1 PREVENTIVES/REMEDIES FOR POSTOPERATIVE STRESS JAPAN TOBACCO INC. (JP) 2003-03-19 EP 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 GLRA1 3992/4885KDM4E 2953/4885HPGD 395/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 GLRA1 2399/4885KDM4E 3266/4885HPGD 958/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 GLRA1 4351/4885KDM4E 2773/4885HPGD 311/4885

“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.