SCHEMBL4334489

SCHEMBL4334489

O=COCCCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.50
CYP1A2 P05177 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 4/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
NAAA Q02083 1/20 0.43
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL5536480 0.95 HRH1 (0.53) HRH1CYP1A2SMN1; SMN2CYP2C19CYP3A4
SCHEMBL5544618 0.93 HRH1 (0.56) HRH1CYP1A2SMN1; SMN2CYP2C19CYP3A4
SCHEMBL5252530 0.93 HRH1 (0.56) HRH1CYP1A2SMN1; SMN2CYP2C19CYP3A4
SCHEMBL5252807 0.89 HRH1 (0.50) HRH1CYP1A2SMN1; SMN2CYP2C19CYP3A4
Bromide SCHEMBL28768599 0.88 CA12 (0.49) HRH1CYP1A2SMN1; SMN2CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL27562976 0.88 CA12 (0.49) HRH1CYP1A2SMN1; SMN2CYP2C19CYP3A4
Oxalic Acid SCHEMBL28208908 0.82 CYP1A2 (0.48) HRH1CYP1A2SMN1; SMN2CYP2C19CYP3A4
SCHEMBL7445422 0.80 HRH1 (0.58) HRH1CYP1A2SMN1; SMN2CYP2C19CYP3A4
SCHEMBL12299309 0.79 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TAAR1ALOX15
SCHEMBL1362405 0.78 SMN1; SMN2 (0.57) HRH1SMN1; SMN2ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004101582-A2 THERMOLABILE HYDROXYL PROTECTING GROUPS AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-11-25 WO claimed
CN-1187188-A Small molecule inhibitors of rotamase enzyme activity GUILFORD PHARM INC (US) 1998-07-08 CN claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7612197-B2 Reacting a nucleophil with OH group with an electrophil to form an adduct, reacting adduct with a reagent selected from oxidizing, sulfurizing or selenizing agents to produce hydroxy protected oligonucleotide, heating to deprotect hydroxy protecting group such as 2-(2-pyridyl)aminoethoxycarbonyl The United States of America as repesented by the Secretary of the Department of Health and Human Services (US) 2009-11-03 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
CN-1331853-C Small molecule inhibitors of rotamase enzyme activity GPI NIL HOLDINGS (US) 2007-08-15 CN disclosed
US-20060281911-A1 Thermolabile hydroxyl protecting groups and methods of use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2006-12-14 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
CN-1178912-C Small molecule inhibitors of rotamase enzyme activity ������˹ҩƷ��˾ 2004-12-08 CN disclosed
WO-2004101582-A2 THERMOLABILE HYDROXYL PROTECTING GROUPS AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-11-25 WO disclosed
CN-1542001-A Small molecule inhibitors of rotamase enzyme activity GPI����عɹ�˾ 2004-11-03 CN disclosed
CN-1336930-A Bridged heterocyclic derivatives GPINIL HOLDING CORP (US) 2002-02-20 CN disclosed
CN-1187188-A Small molecule inhibitors of rotamase enzyme activity GUILFORD PHARM INC (US) 1998-07-08 CN 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 (2 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HRH1 668/4885CYP1A2 659/4885SMN1; SMN2 3985/4885
US-20060281911-A1 Thermolabile hydroxyl protecting groups and methods of use ADH1A, CYP2E1, ADH1C HRH1 431/4885CYP1A2 17/4885SMN1; SMN2 4626/4885

“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.