SCHEMBL4895543

SCHEMBL4895543

O=C(c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)N1C=COC(C2=CC(OCc3ccccc3)=CCC2)=C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
GLRA1 P23415 2/20 0.33
FABP4 P15090 1/20 0.32
S1PR1 P21453 2/20 0.31
S1PR5 Q9H228 2/20 0.31
PRKX P51817 1/20 0.31
ACVR1 Q04771 1/20 0.31
DHODH Q02127 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
S1PR4 O95977 1/20 0.31
LMNA P02545 2/20 0.30
HPGD P15428 1/20 0.30
PLAU P00749 1/20 0.30
EPHB3 P54753 1/20 0.30

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
SCHEMBL4893116 0.85 KDM4E (0.37) KDM4EGLRA1FABP4S1PR1S1PR5
SCHEMBL4899128 0.75 L3MBTL1 (0.34) KDM4EALDH1A1HPGD
SCHEMBL4891026 0.75 TAOK1 (0.38) GLRA1S1PR1S1PR5MRGPRX4ALDH1A1
SCHEMBL4898144 0.75 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL4902300 0.72 KMT2A (0.33) PLAU
SCHEMBL4900271 0.71 SLC22A12 (0.31)
SCHEMBL4900143 0.70 KDM4E (0.37) KDM4EGLRA1FABP4S1PR1S1PR5
SCHEMBL1457712 0.65 MEN1 (0.63) KDM4EGLRA1MRGPRX4LMNAHPGD
SCHEMBL5012584 0.64 HSD11B1 (0.37)
SCHEMBL4901522 0.64 GLRA1 (0.65) KDM4EGLRA1MRGPRX4ALDH1A1LMNA

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 KDM4E 2953/4885GLRA1 3992/4885FABP4 3290/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 KDM4E 3266/4885GLRA1 2399/4885FABP4 1843/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 KDM4E 2773/4885GLRA1 4351/4885FABP4 2612/4885

“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.