SCHEMBL177478

SCHEMBL177478

CN(C)C(=O)c1ccc(OBOc2ccc(C(=O)N(C)C)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.68
ALDH1A1 P00352 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
MAOB P27338 1/20 0.45
AOC3 Q16853 1/20 0.45
TBXAS1 P24557 1/20 0.42
RAB9A P51151 2/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
ERN1 O75460 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 1/20 0.38
PDK2 Q15119 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL16130461 0.86 ALDH1A1 (0.66) HPGDALDH1A1SMN1; SMN2MAOBAOC3
SCHEMBL1004649 0.80 ALDH1A1 (0.73) HPGDALDH1A1SMN1; SMN2MAOBAOC3
SCHEMBL467443 0.79 ALDH1A1 (0.56) HPGDALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL1659309 0.79 HPGD (0.73) HPGDALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL177413 0.78 F10 (0.48) HPGDALDH1A1SMN1; SMN2MAOBERN1
SCHEMBL15386907 0.78 HPGD (0.70) HPGDALDH1A1SMN1; SMN2MAOBAOC3
SCHEMBL11086112 0.78 ALDH1A1 (0.70) HPGDALDH1A1SMN1; SMN2MAOBAOC3
SCHEMBL2535516 0.78 HPGD (0.70) HPGDALDH1A1SMN1; SMN2MAOBAOC3
SCHEMBL655335 0.77 MAPT (0.64) HPGDALDH1A1SMN1; SMN2MAOBRAB9A
SCHEMBL10477068 0.76 SMN1; SMN2 (0.68) HPGDALDH1A1SMN1; SMN2MAOBAOC3

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765039-B2 Biaryl derivatives as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-09-19 US disclosed
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME INFINITY PHARMACEUTICALS INC (US) 2015-12-03 US disclosed
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-20140140956-A1 BIARYL DERIVATIVES AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2014-05-22 US disclosed
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8629125-B2 Inhibitors of fatty acid amide hydrolase Infinty Pharmaceuticals, Inc. (US) 2014-01-14 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-8349814-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20070208024-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2007-09-06 US disclosed
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
WO-2007073503-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-28 WO disclosed
EP-1735278-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
WO-2005097740-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-10-20 WO disclosed
US-20050222186-A1 Substituted diaminopyrimidines ALTANA PHARMA AG (DE) 2005-10-06 US disclosed
WO-2005087765-A1 LIGANDS OF FOLLICLE STIMULATING HORMONE RECEPTOR AND METHODS OF USE THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
EP-1515964-A1 SUBSTITUTED DIAMINOPYRIMIDINES ALTANA Pharma AG (DE) 2005-03-23 EP disclosed
WO-2003106451-A1 SUBSTITUTED DIAMINOPYRIMIDINES ALTANA PHARMA AG (DE) 2003-12-24 WO 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 (7 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-20070208024-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 HPGD 1172/4885ALDH1A1 2304/4885SMN1; SMN2 2289/4885
US-20050222186-A1 Substituted diaminopyrimidines PRKCQ, PRKCE, PRKCA HPGD 2722/4885ALDH1A1 3541/4885SMN1; SMN2 1051/4885
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME FAAH, FAAH2, ASAH1 HPGD 193/4885ALDH1A1 362/4885SMN1; SMN2 2045/4885
US-20140140956-A1 BIARYL DERIVATIVES AS BROMODOMAIN INHIBITORS BRDT, BRD3, BRD4 HPGD 2966/4885ALDH1A1 4094/4885SMN1; SMN2 3901/4885
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 HPGD 211/4885ALDH1A1 444/4885SMN1; SMN2 2358/4885
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 HPGD 211/4885ALDH1A1 444/4885SMN1; SMN2 2358/4885
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof NFKB1, NR3C1, NR5A1 HPGD 2807/4885ALDH1A1 2955/4885SMN1; SMN2 4436/4885

“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.