SCHEMBL3544494

SCHEMBL3544494

C=CCOC(=O)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 8/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MITF O75030 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
SCHEMBL5101748 0.87 CYP3A4 (0.57) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL10492784 0.85 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL5108203 0.84 LMNA (0.51) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL5108127 0.84 CYP3A4 (0.49) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL5108811 0.83 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL31302008 0.83 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL11758391 0.82 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL1496409 0.82 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2MAPTNPC1LMNA
SCHEMBL5108151 0.82 KMT2A (0.49) CYP3A4SMN1; SMN2TDP1MAPTNPC1
SCHEMBL5946823 0.80 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-7342005-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2008-03-11 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
US-7041836-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2006-05-09 US disclosed
US-20050209212-A1 Antibiotic compounds ASTRAZENECA UK LIMITED 2005-09-22 US disclosed
US-20030144264-A1 Antibiotic compounds ZENECA LIMITED 2003-07-31 US disclosed
US-6521612-B2 Antibiotic against grampositive, gramnegative bacteria ZENECA LTD. (GB) 2003-02-18 US disclosed
US-20020042408-A1 Antibiotic compounds ZENECA LIMITED 2002-04-11 US disclosed
US-6187804-B1 Antibiotic compounds ZENECA LIMITED (GB) 2001-02-13 US disclosed
US-5856321-A PREPARATION OF CARBAPENEMS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0579826-B1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LTD (GB) 1998-11-11 EP disclosed
CN-1036006-C Antibiotic compounds ZENECA LTD (GB) 1997-10-01 CN disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
CN-1079224-A Antifungal compound ZENECA LTD (GB) 1993-12-08 CN disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 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 (5 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 CYP3A4 551/4885ALDH1A1 314/4885TSHR 1451/4885
US-20050209212-A1 Antibiotic compounds NRDC, NPR3, NGLY1 CYP3A4 1010/4885ALDH1A1 3269/4885TSHR 3766/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 CYP3A4 631/4885ALDH1A1 1382/4885TSHR 3965/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 CYP3A4 544/4885ALDH1A1 303/4885TSHR 1169/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 CYP3A4 745/4885ALDH1A1 1579/4885TSHR 4017/4885

“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.