SCHEMBL4891026

SCHEMBL4891026

Cc1cc(C(=O)N2C=COC(C3=CC=CCC3)=C2)cc(C)c1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
GLRA1 P23415 2/20 0.35
MRGPRX4 Q96LA9 3/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
PTPN1 P18031 1/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
NPC1 O15118 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 0.90 KDM4E (0.37) GLRA1MRGPRX4LMNAHPGDKMT2A
SCHEMBL4892168 0.85 NAAA (0.44) NPC1RAB9ANR4A2NAAA
SCHEMBL4901712 0.81
SCHEMBL4898144 0.79 KDM4E (0.33) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL4891322 0.77
SCHEMBL4902300 0.76 KMT2A (0.33) KMT2A
SCHEMBL4903599 0.76 ALDH1A1 (0.33) HPGDALDH1A1
SCHEMBL4895908 0.75
SCHEMBL5010854 0.75 RBP4 (0.35) LMNAKMT2AALDH1A1MEN1NPC1
SCHEMBL5012626 0.74 CRBN (0.33) HPGDKMT2AALDH1A1MEN1ATM

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 TAOK1 4293/4885TAOK3 3333/4885GLRA1 3992/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 TAOK1 4224/4885TAOK3 3758/4885GLRA1 2399/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 TAOK1 3535/4885TAOK3 2076/4885GLRA1 4351/4885

“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.