SCHEMBL4895701

SCHEMBL4895701

O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCOc2ccc(S(=O)(=O)N3CCCC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 2/20 0.47
PAX8 Q06710 1/20 0.46
PKM P14618 3/20 0.45
PKLR P30613 3/20 0.45
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 3/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
CREBBP Q92793 1/20 0.43

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
SCHEMBL4901486 0.87 SLC22A12 (0.48) KMT2AMEN1PAX8SLC22A6SLC22A8
SCHEMBL4900115 0.85 SLC22A12 (0.44) KMT2AMEN1SLC22A6SLC22A8SLC22A12
SCHEMBL4891308 0.84 KMT2A (0.45) KMT2AMEN1SLC22A6SLC22A8SLC22A12
SCHEMBL4899123 0.82 L3MBTL1 (0.46) KMT2AMEN1PKMLMNANPC1
SCHEMBL4902073 0.82 POLB (0.51) LMNAMAPTSLC22A6SLC22A8SLC22A12
SCHEMBL4892266 0.82 POLB (0.57) PKMLMNAMAPTSLC22A6SLC22A8
SCHEMBL4899865 0.82 TDP1 (0.52) KMT2ASLC22A6SLC22A8SLC22A12POLB
SCHEMBL4898917 0.82 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL4895663 0.80 SLC22A12 (0.49) LMNAMAPTSLC22A6SLC22A8SLC22A12
SCHEMBL4901883 0.80 SLC22A12 (0.49) MAPTSLC22A6SLC22A8SLC22A12POLB

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 12 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
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 KMT2A 4316/4885MEN1 3222/4885PAX8 4212/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 KMT2A 1508/4885MEN1 3330/4885PAX8 2146/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 KMT2A 3307/4885MEN1 3543/4885PAX8 2462/4885

“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.