SCHEMBL6706912

SCHEMBL6706912

CNC(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.49
VDR P11473 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
BCAT2 O15382 2/20 0.44
MAPT P10636 1/20 0.43
IDH1 O75874 2/20 0.42
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
Hydrochloric Acid SCHEMBL5516294 0.99 NR1H4 (0.48) NR1H4VDRL3MBTL1BCAT2MAPT
SCHEMBL5508885 0.94 NR1H4 (0.52) NR1H4VDRL3MBTL1IDH1CYP2C9
SCHEMBL14383716 0.93 NR1H4 (0.52) NR1H4VDRL3MBTL1MAPTIDH1
SCHEMBL5509930 0.93 RPS6KB1 (0.45) NR1H4VDRL3MBTL1BCAT2MAPT
SCHEMBL14383505 0.93 MAPT (0.49) NR1H4VDRL3MBTL1MAPTTHRB
SCHEMBL14383439 0.93 L3MBTL1 (0.45) NR1H4VDRL3MBTL1BCAT2MAPT
Hydrochloric Acid SCHEMBL5514901 0.93 NR1H4 (0.51) NR1H4VDRL3MBTL1MAPTIDH1
Hydrochloric Acid SCHEMBL5512834 0.93 MAPT (0.48) NR1H4VDRL3MBTL1MAPTTHRB
Hydrochloric Acid SCHEMBL5513942 0.92 L3MBTL1 (0.44) NR1H4VDRL3MBTL1BCAT2MAPT
Hydrochloric Acid SCHEMBL5527007 0.92 NR1H4 (0.51) NR1H4VDRL3MBTL1BCAT2MAPT

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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US claimed
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 US disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 US disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 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 (4 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP NR1H4 3359/4885VDR 2212/4885L3MBTL1 2434/4885
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C NR1H4 484/4885VDR 3852/4885L3MBTL1 3799/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP NR1H4 3359/4885VDR 2212/4885L3MBTL1 2434/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP NR1H4 3359/4885VDR 2212/4885L3MBTL1 2434/4885

“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.