SCHEMBL1114869

SCHEMBL1114869

CCCCCOc1cccc(I)c1OCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
CHRM1 P11229 1/20 0.46
ALOX15 P16050 1/20 0.46
ACHE P22303 1/20 0.46
KCNH2 Q12809 1/20 0.46
HIF1A Q16665 1/20 0.46
MCHR1 Q99705 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL2197109 0.98 MCHR1 (0.47) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL30350708 0.89 CHRM2 (0.49) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL19510572 0.89 CHRM2 (0.49) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL456438 0.85 CHRM2 (0.56) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL4527369 0.85 CHRM2 (0.56) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL453505 0.85 CHRM2 (0.56) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL30167843 0.85 CHRM2 (0.56) CHRM2LMNATSHRCHRM1ALOX15
SCHEMBL9598552 0.83 CYP1A2 (0.53) CHRM2LMNATSHRMCHR1CYP1A2
SCHEMBL28143632 0.83 LTA4H (0.44) TSHRMCHR1CYP1A2CYP2C9CYP2C19
SCHEMBL4660995 0.81 LMNA (0.54) CHRM2LMNATSHRMCHR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732029-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9725402-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
EP-3067352-A2 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF Cardioxyl Pharmaceuticals Inc. (US) 2016-09-14 EP disclosed
EP-2278975-B1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS INC (US) 2016-09-07 EP disclosed
US-20160052862-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS, INC. 2016-02-25 US disclosed
US-20140336137-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS, INC. 2014-11-13 US disclosed
US-8791134-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2014-07-29 US disclosed
US-20130045951-A1 Novel Nitroso Compounds as Nitroxyl Donors and Methods of Use Thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2013-02-21 US disclosed
US-8318705-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
EP-2278975-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF Cardioxyl Pharmaceuticals Inc. (US) 2011-02-02 EP disclosed
WO-2009137717-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS INC. (US) 2009-11-12 WO disclosed
US-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF EVOTEC LTD. (GB) 2009-11-12 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 (4 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-20160052862-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 CHRM2 3093/4885LMNA 4217/4885TSHR 3830/4885
US-20140336137-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 CHRM2 3093/4885LMNA 4217/4885TSHR 3830/4885
US-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 CHRM2 3093/4885LMNA 4217/4885TSHR 3830/4885
US-20130045951-A1 Novel Nitroso Compounds as Nitroxyl Donors and Methods of Use Thereof NOXO1, TNNI3, HAO2 CHRM2 3093/4885LMNA 4217/4885TSHR 3830/4885

“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.