SCHEMBL1312005

SCHEMBL1312005

CN(C(=O)C(F)(F)F)c1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NOTUM Q6P988 1/20 0.40
MLYCD O95822 4/20 0.39
APP P05067 2/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL21477233 0.84 MAPT (0.46) MAPTSMN1; SMN2NOTUMMLYCDNR1H2
SCHEMBL15540001 0.82 NOTUM (0.45) MAPTSMN1; SMN2NOTUMAPPNPSR1
SCHEMBL26343929 0.82 MAPT (0.45) MAPTSMN1; SMN2NOTUMMLYCDAPP
SCHEMBL12203987 0.82 SMN1; SMN2 (0.46) MAPTSMN1; SMN2NOTUMMLYCDLMNA
SCHEMBL2393434 0.81 ALDH1A1 (0.45) MAPTSMN1; SMN2NOTUMMLYCDNR1H2
SCHEMBL6555780 0.81 MAPT (0.44) MAPTSMN1; SMN2NOTUMMLYCDNR1H2
SCHEMBL2058785 0.81 MAPT (0.44) MAPTSMN1; SMN2NOTUMMLYCDNR1H2
SCHEMBL4746141 0.80 KMT2A (0.51) SMN1; SMN2MLYCDNR1H2NR1H3NPSR1
SCHEMBL9790442 0.79 NPC1 (0.47) MAPTSMN1; SMN2NOTUMMLYCDNR1H2
SCHEMBL4142538 0.79 SMN1; SMN2 (0.45) MAPTSMN1; SMN2NOTUMMLYCDNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569285-A1 BIFUNCTIONAL QUINOLINE DERIVATIVES Gilead Sciences, Inc. (US) 2013-03-20 EP disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-8394829-B2 Bi-functional quinoline analogs GILEAD SCIENCES, INC. (US) 2013-03-12 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC (US) 2013-01-10 US disclosed
WO-2011143105-A1 BIFUNCTIONAL QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2011-11-17 WO disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-10 US disclosed
US-7524863-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-28 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
EP-1501798-A4 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-22 EP disclosed
US-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors SMALLHEER JOANNE M 2006-11-02 US disclosed
EP-1501798-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 WO disclosed
US-20040006062-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-01-08 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-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, F5 MAPT 4849/4885SMN1; SMN2 2423/4885NOTUM 437/4885
US-20110275622-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, MRGPRX2 MAPT 3469/4885SMN1; SMN2 4757/4885NOTUM 3696/4885
US-20130012504-A1 BI-FUNCTIONAL QUINOLINE ANALOGS BDKRB2, BDKRB1, HRH2 MAPT 3269/4885SMN1; SMN2 4631/4885NOTUM 3178/4885
US-20040006062-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, PRSS1 MAPT 4860/4885SMN1; SMN2 2188/4885NOTUM 481/4885

“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.