SCHEMBL4894293

SCHEMBL4894293

CC1COc2ccccc2N1C(=O)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
MAPT P10636 1/20 0.65
SLC22A12 Q96S37 2/20 0.65
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
HCRTR2 O43614 1/20 0.45
CYP2C9 P11712 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL4901588 0.79 SLC22A12 (1.00) MEN1KMT2AMAPTSLC22A12ALDH1A1
SCHEMBL16144910 0.77 MEN1 (0.67) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL13767851 0.76 MEN1 (0.64) MEN1KMT2AMAPTCRHBPCRHR2
Benoxacor SCHEMBL29419104 0.74 ALDH1A1 (0.67) MEN1KMT2AMAPTCRHBPCRHR2
Benoxacor SCHEMBL29963816 0.74 ALDH1A1 (0.67) MEN1KMT2AMAPTCRHBPCRHR2
Benoxacor SCHEMBL122820 0.74 ALDH1A1 (0.67) MEN1KMT2AMAPTCRHBPCRHR2
Benoxacor SCHEMBL3674598 0.74 ALDH1A1 (0.67) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL4901890 0.73 SLC22A12 (0.49) MEN1KMT2AMAPTSLC22A12CYP2C9
SCHEMBL4901855 0.73 POLB (0.70) MAPTSLC22A12CYP2C9ABCG2POLB
SCHEMBL24499466 0.73 MAPT (0.67) MEN1KMT2AMAPTCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US claimed
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
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 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
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 (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 MEN1 3222/4885KMT2A 4316/4885MAPT 962/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 MEN1 3330/4885KMT2A 1508/4885MAPT 552/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 MEN1 3543/4885KMT2A 3307/4885MAPT 1019/4885

“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.