SCHEMBL751365

SCHEMBL751365

OC(c1ccccc1)c1ccc(Cl)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.47
PRMT5 O14744 1/20 0.47
CYP3A4 P08684 4/20 0.46
CYP2D6 P10635 4/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
KCNH2 Q12809 1/20 0.43
NAPRT Q6XQN6 1/20 0.41
CYP17A1 P05093 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL3299158 0.86 KCNQ3 (0.41) SMN1; SMN2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL18228537 0.84 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1CYP3A4CYP2D6SLC6A2
SCHEMBL10197954 0.83 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1CYP3A4CYP2D6SLC6A2
SCHEMBL10628639 0.83 KCNQ3 (0.45) SMN1; SMN2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL4184665 0.80 SLC6A2 (0.43) ALDH1A1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL11538609 0.80 SLC6A2 (0.50) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL26988506 0.80 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1PRMT5CYP3A4CYP2D6
SCHEMBL23474122 0.77 CYP3A4 (0.44) SMN1; SMN2ALDH1A1CYP3A4CYP2D6SLC6A2
SCHEMBL3382818 0.77 CYP3A4 (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL23377469 0.77 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1PRMT5CYP17A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
EP-2078015-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
US-7994190-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-20100190820-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-07-29 US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 US disclosed
CN-101573356-A Modulators of glucocorticoid receptor, ap-1, and/or nf-kb activity and use thereof BRISTOL MYERS SQUIBB CO (US) 2009-11-04 CN disclosed
EP-2089389-A2 HETEROCYCLIC COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPA-B ACTIVITY Bristol-Myers Squibb Company (US) 2009-08-19 EP disclosed
EP-2078015-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-07-15 EP disclosed
WO-2008057859-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008057855-A2 HETEROCYCLIC COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I, AND/OR NP-KAPPA-B ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008057859-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
US-4736037-A 2-halo-aryl-pyridinemethanols with analgesic or antiinflammatory activity LACER, S.A. (ES) 1988-04-05 US disclosed
US-4614833-A 2-halo-pyridines LACER, S.A. (ES) 1986-09-30 US disclosed
EP-0032516-B1 NEW 2-HALO-PYRIDINES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS LACER, S.A. (ES) 1984-05-02 EP disclosed
EP-0032516-A1 New 2-halo-pyridines, their production and pharmaceutical compositions LACER, S.A. (ES) 1981-07-29 EP 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-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA SMN1; SMN2 3208/4885ALDH1A1 4091/4885PRMT5 1363/4885
US-20100190820-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NR0B1, NR3C1, NFRKB SMN1; SMN2 4124/4885ALDH1A1 3816/4885PRMT5 2313/4885

“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.