SCHEMBL924722

SCHEMBL924722

OCCOCc1cccc(I)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
TACR1 P25103 2/20 0.48
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
TSHR P16473 1/20 0.35
APP P05067 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NAAA Q02083 1/20 0.34

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
SCHEMBL20485056 0.86 TSHR (0.42) IDO1TSHRCYP4F2CYP4A11NAAA
SCHEMBL7892498 0.84 IDO1 (0.69) IDO1TACR1CYP1A2CYP2D6CYP2C19
SCHEMBL2186595 0.80 IDO1 (0.55) IDO1TACR1CYP1A2CYP2D6CYP2C19
SCHEMBL24991328 0.79 IDO1 (0.53) IDO1TACR1CYP1A2CYP2D6CYP2C19
SCHEMBL13188027 0.79 IDO1 (0.62) IDO1TACR1CYP1A2CYP2D6CYP2C19
SCHEMBL15687841 0.79 TSHR (0.62) IDO1TACR1CYP1A2CYP2D6CYP2C19
SCHEMBL20548123 0.78 ALDH1A1 (0.46) IDO1SMN1; SMN2TSHRCYP4F2CYP4A11
SCHEMBL21657589 0.78 CTSD (0.38) IDO1LMNASMN1; SMN2TSHR
SCHEMBL10848713 0.78 CYP3A4 (0.56) IDO1TACR1MAOAMAOB
SCHEMBL31469078 0.78 MAOB (0.46) MAOAMAOBAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043042-A Conjugate comprising a covalent binding agent for targeting intracellular KRAS G12C proteins 瑞择生物公司 2024-05-14 CN disclosed
WO-2023014979-A9 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS RAYZEBIO, INC. (US) 2023-04-27 WO disclosed
WO-2023014979-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS RAYZEBIO, INC. (US) 2023-02-09 WO disclosed
US-RE44874-E1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2014-04-29 US disclosed
EP-2042168-B1 Inhalation formulation comprising phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2013-10-23 EP disclosed
US-8198483-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2012-06-12 US disclosed
US-20110269970-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2011-11-03 US disclosed
US-7982067-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2011-07-19 US disclosed
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2011-01-13 US disclosed
US-7776895-B2 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2010-08-17 US disclosed
EP-2042168-A1 Inhalation device comprising phenethanolamine derivatives for treatment of respiratory diseases Glaxo Group Limited (GB) 2009-04-01 EP disclosed
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2009-03-12 US disclosed
EP-1425001-B1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-12-17 EP disclosed
US-7439393-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-21 US disclosed
US-7361787-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-04-22 US disclosed
US-20080003290-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-04-07 US disclosed
EP-1425001-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-06-09 EP disclosed
WO-2003024439-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-03-27 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-20080003290-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 IDO1 842/4885TACR1 2893/4885CYP1A2 213/4885
US-20110269970-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PNMT, HRH2, CHKB IDO1 557/4885TACR1 2832/4885CYP1A2 776/4885
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 IDO1 1862/4885TACR1 3061/4885CYP1A2 161/4885
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 IDO1 1018/4885TACR1 2745/4885CYP1A2 226/4885
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases PNMT, CHRM3, HRH4 IDO1 352/4885TACR1 1992/4885CYP1A2 844/4885

“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.