SCHEMBL8443874

SCHEMBL8443874

COc1ccc(C(C)=O)c(OC)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.73
TDP1 Q9NUW8 1/20 0.73
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
HPGD P15428 3/20 0.55
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HSD17B10 Q99714 2/20 0.55
NNMT P40261 2/20 0.51
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
MTNR1A P48039 3/20 0.40

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
SCHEMBL31141991 1.00 POLB (0.73) POLBTDP1RAB9ANPC1HPGD
SCHEMBL29859234 0.85 TDP1 (1.00) POLBTDP1RAB9ANPC1HPGD
SCHEMBL198490 0.85 TDP1 (1.00) POLBTDP1RAB9ANPC1HPGD
SCHEMBL3864064 0.83 POLB (0.71) POLBTDP1RAB9ANPC1HPGD
SCHEMBL11605385 0.83 TDP1 (0.71) POLBTDP1RAB9ANPC1HPGD
SCHEMBL5010608 0.83 POLB (0.71) POLBTDP1RAB9ANPC1HPGD
SCHEMBL2414594 0.83 POLB (0.51) POLBTDP1RAB9ANPC1HPGD
Hydrochloric Acid SCHEMBL10988320 0.83 TDP1 (0.96) POLBTDP1RAB9ANPC1HPGD
SCHEMBL14946913 0.81 POLB (0.63) POLBTDP1RAB9ANPC1HPGD
SCHEMBL14946915 0.81 POLB (0.63) POLBTDP1RAB9ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013006000-A2 METHOD FOR DETECTING BREAST CANCER USING RESPIRATORY GAS 주식회사 알앤엘내츄럴 (KR) 2013-01-10 WO claimed
US-9920029-B2 Isatin compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-03-20 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
EP-3002283-A1 THIAZOLE DERIVATIVES Kyowa Hakko Kirin Co., Ltd. (JP) 2016-04-06 EP disclosed
EP-2970183-A2 ISATIN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS Musc Foundation for Research Development (US) 2016-01-20 EP disclosed
US-20150218128-A1 Isatin Compounds, Compositions And Methods For Treatment Of Degenerative Diseases And Disorders MUSC Foundation for Research Development (10 pp.) 2015-08-06 US disclosed
US-9079853-B2 Isatin compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2015-07-14 US disclosed
WO-2014160143-A2 ISATIN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-10-02 WO disclosed
US-20140275075-A1 ISATIN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-09-18 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
US-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
US-7718808-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-05-18 US disclosed
US-7718808-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-05-18 US disclosed
EP-2138492-A1 Substituted pyrimidin-4-one derivatives Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2009156865-A1 SUBSTITUTED PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 WO disclosed
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-10 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 (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-20150218128-A1 Isatin Compounds, Compositions And Methods For Treatment Of Degenerative Diseases And Disorders CLN6, AREG, HASPIN POLB 870/4885TDP1 681/4885RAB9A 1290/4885
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders ADORA2A, ADORA3, ADORA1 POLB 3037/4885TDP1 2324/4885RAB9A 2185/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 POLB 2041/4885TDP1 3315/4885RAB9A 1490/4885
US-20140275075-A1 ISATIN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS CLN6, AREG, HASPIN POLB 870/4885TDP1 681/4885RAB9A 1290/4885
US-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER HCRTR1, MTNR1A, HCRTR2 POLB 3885/4885TDP1 3167/4885RAB9A 1949/4885

“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.