SCHEMBL5012624

SCHEMBL5012624

COC(=O)c1ccc(C(=O)N2CCOc3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
NOTUM Q6P988 1/20 0.59
MAPT P10636 3/20 0.58
NR3C2 P08235 1/20 0.54
RXFP1 Q9HBX9 3/20 0.54
THRB P10828 1/20 0.50
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.48
PDK1 Q15118 1/20 0.48
NAAA Q02083 1/20 0.47
SIRT3 Q9NTG7 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL5010850 0.89 POLB (0.58) POLBNOTUMMAPTNR3C2RXFP1
SCHEMBL18580946 0.86 POLB (0.55) POLBNOTUMMAPTNR3C2RXFP1
SCHEMBL16193763 0.84 POLB (0.78) POLBNOTUMMAPTNR3C2RXFP1
SCHEMBL5015512 0.83 POLB (0.77) POLBNOTUMMAPTNR3C2RXFP1
SCHEMBL4898768 0.83 POLB (0.77) POLBNOTUMMAPTNR3C2RXFP1
SCHEMBL18593276 0.80 THRB (0.56) POLBMAPTTHRBCYP2C9RAB9A
SCHEMBL4900286 0.78 POLB (0.65) POLBNOTUMMAPTNR3C2RXFP1
SCHEMBL5015497 0.78 POLB (0.68) POLBNOTUMMAPTNR3C2CYP2C9
SCHEMBL4891318 0.78 POLB (0.57) POLBNOTUMMAPTNR3C2RXFP1
SCHEMBL4903593 0.78 POLB (0.64) POLBNOTUMMAPTNR3C2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP claimed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US claimed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 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
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US 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 (2 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 POLB 4604/4885NOTUM 462/4885MAPT 962/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 POLB 4164/4885NOTUM 1009/4885MAPT 552/4885

“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.