SCHEMBL4564308

SCHEMBL4564308

COc1c(C)cccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 6/20 0.55
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 3/20 0.48
GPR35 Q9HC97 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.42
HSPB1 P04792 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 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
SCHEMBL358770 0.88 TDP1 (0.61) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL10422347 0.85 TSHR (0.60) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL1340885 0.84 TDP1 (0.54) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL2088309 0.82 TDP1 (0.71) TSHRSMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL31119225 0.82 TDP1 (0.71) TSHRSMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL25161887 0.82 TDP1 (0.55) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL5678525 0.82 ALDH1A1 (0.46) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL31119224 0.82 TDP1 (0.71) TSHRSMN1; SMN2TDP1ALDH1A1L3MBTL1
SCHEMBL1755968 0.81 TDP1 (0.53) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL9035097 0.80 TSHR (0.55) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1

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
US-9815825-B2 Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders DISCOVERYBIOMED, INC. (US) 2017-11-14 US disclosed
US-9815825-B2 Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders DISCOVERYBIOMED, INC. (US) 2017-11-14 US disclosed
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2016-02-11 US disclosed
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2016-02-11 US disclosed
US-20160024065-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2016-01-28 US disclosed
US-20160024065-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2016-01-28 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
WO-2014152278-A2 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2014-09-25 WO disclosed
WO-2014152213-A2 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2014-09-25 WO disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 US disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed
US-5630872-A METAL ALKOXIDES, NITRO COMPOUNDS MITSUBISHI MATERIALS CORPORATION (JP) 1997-05-20 US disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 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 (3 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-20160024065-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS CFTR, SLC47A1, ABCB11 TSHR 4698/4885SMN1; SMN2 4360/4885HSD17B10 596/4885
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES HSP90B1, HSPD1, HSPE1 TSHR 4759/4885SMN1; SMN2 4788/4885HSD17B10 398/4885
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 TSHR 1150/4885SMN1; SMN2 4851/4885HSD17B10 249/4885

“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.