SCHEMBL177217

SCHEMBL177217

Cc1ccc(OBOc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
TSHR P16473 4/20 0.53
CYP3A4 P08684 2/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.46
MAPT P10636 7/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41

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
SCHEMBL5038828 0.87 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL16706304 0.86 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL1318602 0.83 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4MAPTKMT2A
SCHEMBL178068 0.81 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL9397233 0.79 VCAM1 (0.50) ALDH1A1TSHRMAPTMAPK1HPGD
SCHEMBL25230829 0.77 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL176879 0.77 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL4237009 0.77 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL3721960 0.77 MAPT (0.64) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL12031432 0.77 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111212833-B Phenylpyridine derivatives and pharmaceutical compositions containing the same 株式会社大熊制药 2022-09-06 CN disclosed
CN-111212833-A Novel phenylpyridine derivative and pharmaceutical composition comprising same 株式会社大熊制药 2020-05-29 CN 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-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-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
US-8329675-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2012-12-11 US disclosed
EP-2404607-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2012-01-11 EP disclosed
US-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, LLC 2004-09-02 US disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed
US-6534524-B1 Antiproliferative agents, including axitinib AGOURON PHARMACEUTICALS, INC. 2003-03-18 US disclosed
US-6531491-B1 Methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, AGOURON PHARAMACEUTICALS, INC. 2003-03-11 US disclosed
EP-1218348-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2002-07-03 EP disclosed
EP-0470795-B2 Process for the manufacture of nitriles AVECIA LTD (GB) 2001-02-21 EP disclosed
WO-2001002369-A2 INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2001-01-11 WO disclosed
EP-0470795-B1 Process for the manufacture of nitriles ZENECA LTD (GB) 1995-01-25 EP disclosed
EP-0470795-A1 Process for the manufacture of nitriles ZENECA LIMITED (GB) 1992-02-12 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 (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-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 ALDH1A1 2836/4885TSHR 2546/4885CYP3A4 1932/4885
US-20150344503-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE, METHODS OF TREATMENT AND METHODS OF PREPARING SAME FAAH, FAAH2, ASAH1 ALDH1A1 362/4885TSHR 2159/4885CYP3A4 929/4885
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD ALDH1A1 271/4885TSHR 3744/4885CYP3A4 104/4885
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ALDH1A1 444/4885TSHR 2421/4885CYP3A4 1007/4885
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ALDH1A1 444/4885TSHR 2421/4885CYP3A4 1007/4885

“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.